data_2rpp_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 2rpp _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -123.71 154.03 40.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -148.88 138.53 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.77 110.71 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.53 130.75 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 47.6 t -50.72 119.48 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.24 -54.47 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.73 -50.99 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -43.82 -52.04 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.33 -55.25 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -61.48 -28.51 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.53 36.64 5.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -131.09 35.8 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -116.76 93.13 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -84.35 29.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -115.69 128.25 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 p -63.89 -175.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -33.68 61.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.64 -9.33 58.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -100.45 -52.24 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -74.46 139.25 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -83.4 35.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 84.5 m-85 -139.98 170.25 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.01 126.53 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -114.58 92.42 28.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.53 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -69.04 -39.24 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 p -63.86 -43.23 96.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.5 130.06 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -70.81 125.01 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -98.72 132.17 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.79 163.59 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.71 106.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.59 17.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -156.0 166.32 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.24 142.01 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.1 mt -89.97 133.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.99 136.97 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.09 153.64 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -85.09 -60.56 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -42.08 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.4 p -45.87 -47.75 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -47.46 -34.97 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -72.65 -28.74 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.73 -15.69 26.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.61 105.99 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.91 152.18 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.9 t -115.58 -43.9 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 44.7 mtt-85 -36.33 110.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -59.37 -59.61 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' CYS . 33.9 p-10 -96.27 35.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.5 t -35.25 124.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -87.68 -21.08 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.36 142.57 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 tp -81.78 153.71 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 5.5 m170 -103.75 98.83 13.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.282 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.604 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.2 Cg_endo -69.76 164.5 34.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -57.03 -57.57 11.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.7 p-80 -46.18 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 18.0 mt -96.79 -38.0 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -43.11 -43.78 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.2 m -49.71 -53.02 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -40.75 -53.58 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 40.9 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.899 0.381 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -138.98 151.54 46.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -152.61 141.94 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.57 125.49 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 95.4 t -81.2 129.22 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.13 121.75 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -56.07 -62.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -47.87 -45.05 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 37.2 t80 -48.14 -51.42 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -49.93 -58.48 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -67.64 -22.9 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.93 30.09 10.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 p -118.13 34.46 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.56 101.56 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -86.92 23.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -111.05 126.7 55.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -58.15 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.32 -32.27 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.43 -9.78 51.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -102.76 -56.19 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -55.49 139.3 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 43' ' ' PHE . 17.1 pttt -84.26 29.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' HE2' ' A' ' 42' ' ' LYS . 69.0 m-85 -139.37 162.79 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.34 135.37 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.3 m170 -118.25 91.74 41.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.37 50.66 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 178.85 4.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -68.71 -33.47 73.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.8 m -77.91 7.11 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.567 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 2.0 t -100.33 142.02 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -87.17 109.13 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.65 128.58 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ARG . 11.6 mt-10 -89.72 169.23 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.84 106.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.97 22.0 18.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLU . 6.6 ttm180 -157.15 171.17 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 9.6 p -142.59 140.93 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.1 mt -89.05 129.16 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.05 162.49 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 t -85.0 155.18 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -88.93 -56.57 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.5 -47.6 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.483 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 23.4 p -42.95 -37.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.35 -41.24 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -68.83 -28.19 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.22 -13.52 26.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -131.0 107.79 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 t -99.89 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.4 m -106.56 -56.69 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' SER . 47.3 mmt-85 -33.3 113.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.85 -71.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -83.25 37.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.58 111.95 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -85.09 33.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -129.78 132.17 46.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.567 ' N ' ' HG ' ' A' ' 50' ' ' CYS . 14.2 tp -75.58 147.56 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 10.1 m170 -104.28 96.91 10.62 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 110.83 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.73 152.13 69.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.83 172.07 13.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 m -66.87 -39.99 87.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.7 p-80 -64.01 -20.53 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 17.8 mt -96.31 -49.19 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -43.46 -26.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.2 m -62.57 -41.75 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -53.87 -23.85 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -124.13 137.93 54.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -119.15 163.79 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.42 142.17 31.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.15 143.3 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ARG . 43.1 t -69.89 105.6 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tpp85 -35.93 -63.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' PHE . 23.6 mt-30 -47.42 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' GLN . 25.7 t80 -35.83 -48.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.63 -59.85 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -65.45 -24.71 67.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.29 30.58 7.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -113.37 29.54 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 t -120.21 128.54 53.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -122.37 27.11 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -109.44 141.08 42.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.0 t -80.9 162.49 23.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -26.14 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.68 -21.49 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -99.87 -59.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.39 133.52 52.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -83.96 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 90.4 m-85 -137.38 168.17 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.93 126.76 46.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -111.52 92.58 16.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.609 0.719 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 129.46 17.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.89 11.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -61.7 -45.67 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.2 p -58.86 -40.23 83.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.9 m -74.04 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -68.71 128.78 37.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' N ' ' OE1' ' A' ' 51' ' ' GLN . 60.1 t -100.23 132.25 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' ARG . 15.8 mt-10 -90.17 168.44 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -53.86 106.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.78 17.46 6.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 12.1 ttp180 -155.44 170.71 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 58' ' ' ILE . 7.7 p -149.46 137.98 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 57' ' ' VAL . 49.7 mt -84.07 137.04 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.88 155.76 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.0 t -82.74 145.92 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -73.13 -58.29 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -53.85 -52.91 58.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.463 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 57.0 p -39.46 -34.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.1 -46.02 65.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -29.95 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.84 -11.38 22.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -130.77 105.89 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -100.1 156.16 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ARG . 81.7 p -107.42 -56.0 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' SER . 54.3 mmt-85 -35.38 122.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.98 -74.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' CYS . 40.4 t30 -89.19 38.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -35.34 117.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -84.14 36.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.91 140.8 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 tp -76.94 145.42 38.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CG ' ' CB ' ' A' ' 63' ' ' SER . 21.9 m170 -105.35 97.83 14.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 146.77 61.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.397 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.58 ' HB2' ' CE1' ' A' ' 81' ' ' HIS . 53.7 Cg_endo -69.75 172.64 12.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' HIS . 5.8 m -59.29 -68.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 43.8 p-80 -36.17 -39.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 20.1 mt -76.91 -46.26 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' THR . 29.5 mtpt -41.94 -50.0 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.9 m -54.0 -35.03 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.79 -38.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.937 0.399 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.56 153.12 34.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -136.19 146.3 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -75.5 118.24 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.48 140.32 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 43.2 t -67.8 107.9 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -39.16 -61.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 16.6 mp0 -49.97 -57.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 31.9 t80 -37.88 -54.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -48.78 -58.24 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -62.61 -28.46 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.63 20.62 21.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -106.57 28.68 7.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 t -117.87 106.75 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -101.57 30.81 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -108.32 126.78 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -58.25 -178.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.66 -31.2 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -85.24 -5.27 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -104.87 -51.45 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -74.25 135.54 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 28.5 pttt -85.57 34.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 92.3 m-85 -139.91 167.4 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.12 129.66 46.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.0 m170 -115.87 92.53 34.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 135.09 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 175.08 8.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -64.0 -50.24 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -51.33 -34.88 35.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.3 m -84.16 133.75 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.72 150.07 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.1 t -122.71 129.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.14 165.74 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -52.39 106.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.91 23.29 22.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -156.17 174.05 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.15 148.66 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -89.52 133.18 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.93 130.69 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -59.39 146.36 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 5.4 t80 -84.21 -54.68 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.33 -48.62 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.438 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 49.0 p -43.95 -36.05 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.15 -42.79 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.59 -10.39 32.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -130.99 108.73 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.43 152.73 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.8 m -112.56 -54.79 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' SER . 15.1 mtp180 -33.24 116.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.46 -72.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' CYS . 24.0 m-80 -87.09 33.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ASN . 38.8 t -34.22 111.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -88.65 33.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -131.38 133.48 45.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.77 151.47 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 21.4 m170 -107.8 97.38 20.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.8 Cg_endo -69.76 147.73 63.55 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.685 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.81 172.01 13.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.3 m -58.1 -65.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 56.6 p-80 -40.57 -29.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 21.3 mt -89.26 -35.52 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' THR . 4.4 mtmp? -47.06 -28.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.0 m -63.19 -56.98 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -39.85 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.53 152.72 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.2 mt -145.46 140.87 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.32 114.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.59 141.75 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 44.9 t -57.41 109.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.88 -36.67 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.57 ' NE2' HH21 ' A' ' 31' ' ' ARG . 53.3 mm-40 -70.83 -54.76 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 38.1 t80 -41.42 -55.37 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.51 -52.7 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.57 HH21 ' NE2' ' A' ' 28' ' ' GLN . 40.6 mtm180 -68.71 -25.09 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.74 37.82 8.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.4 t -129.28 30.18 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.2 t -106.55 114.02 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 m -95.88 29.98 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -118.04 146.13 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.1 m -78.89 -176.51 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -34.61 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 6.8 tm-20 -83.44 -11.15 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -53.37 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.73 149.5 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.74 -1.29 51.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' A' ' 26' ' ' CYS . 5.1 m-85 -120.79 167.39 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.82 146.44 26.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.5 m170 -124.49 92.74 47.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 133.16 24.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.07 61.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -44.21 -47.76 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.8 p -56.1 -36.61 68.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 m -78.04 134.43 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -74.85 151.42 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.0 t -134.04 131.94 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.71 168.39 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -51.98 108.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.57 22.88 26.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -157.08 172.75 18.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -153.24 143.28 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.7 mt -86.95 136.87 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.05 153.44 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.91 155.14 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -85.51 -56.69 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -56.87 -51.17 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 66' ' ' GLY . 15.0 p -39.02 -45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -44.05 -44.35 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.47 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 112.59 -12.75 25.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.86 104.89 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.48 152.12 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 25.4 m -109.99 -51.36 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 22.8 mmt180 -35.62 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -46.8 -65.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' CYS . 18.3 p30 -92.96 36.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 18.0 t -35.05 130.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -90.92 -13.74 32.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.11 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 tp -75.36 148.18 39.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 6.4 m170 -102.63 96.8 7.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.73 146.92 61.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 81' ' ' HIS . 54.0 Cg_endo -69.76 172.19 13.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 83' ' ' LYS . 28.1 m -58.27 -70.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 79' ' ' PRO . 46.5 p-80 -35.87 -39.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 17.9 mt -75.95 -43.26 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.1 ttpp -38.14 -54.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 m -39.03 -46.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -48.86 -48.12 42.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.417 ' CG2' ' HE ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -134.32 155.95 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -146.19 142.35 28.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -65.69 116.1 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.05 128.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 53.5 t -48.19 110.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -43.34 -58.51 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.74 -53.87 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 28.3 t80 -42.44 -52.23 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -48.29 -49.64 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -74.45 -25.63 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.3 21.37 25.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -112.28 39.24 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.129 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -118.66 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -98.82 30.9 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -115.36 140.16 49.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -75.2 -177.96 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.87 -32.23 51.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -77.11 -18.99 57.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -101.01 -55.8 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.44 132.02 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -83.8 32.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LYS . 2.9 m-85 -137.75 163.13 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.09 135.05 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -118.23 92.32 42.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CE2' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.72 122.05 8.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.02 7.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.86 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -55.72 -37.38 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.22 137.36 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.75 156.39 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -132.3 123.39 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -88.06 165.23 15.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -53.86 106.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.87 21.03 15.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HE ' ' CG2' ' A' ' 22' ' ' THR . 10.3 ttp180 -155.34 167.88 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.9 p -151.88 139.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.5 mt -84.79 133.4 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.89 131.09 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.057 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.41 139.48 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.61 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.93 -51.01 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 p -40.29 -46.72 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -46.65 -40.97 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -67.57 -29.74 69.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.25 -15.04 25.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -130.82 107.36 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.25 153.03 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 41.2 t -114.03 -53.07 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.7 mtp180 -34.7 109.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -90.82 41.4 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.1 t -42.64 116.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -87.54 37.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -141.05 137.6 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.438 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 14.6 tp -76.79 151.06 36.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.8 m170 -106.53 95.34 11.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.252 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.653 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.4 Cg_endo -69.69 172.31 12.81 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.409 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.5 m -51.18 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.653 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.3 p-80 -39.83 -49.29 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 16.1 mt -67.08 -29.8 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' THR . 7.5 ttpp -70.79 -42.4 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -59.62 -37.8 79.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -61.39 -21.81 64.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -116.55 156.24 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 34.3 mt -147.42 148.21 31.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.83 124.61 27.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 135.25 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.5 t -45.11 121.38 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -48.61 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -51.0 -56.33 12.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -39.81 -55.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -45.13 -46.16 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -75.9 -32.08 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.3 6.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -123.59 37.1 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -120.85 109.54 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.8 m -99.78 33.11 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -117.58 135.18 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -68.35 179.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.77 -29.51 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.96 -15.61 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.25 -55.22 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.4 143.44 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 43' ' ' PHE . 22.8 pttt -84.11 27.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CE2' ' HE2' ' A' ' 42' ' ' LYS . 89.1 m-85 -139.96 170.1 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.09 132.75 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -117.59 92.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.86 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.97 29.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -34.89 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -65.12 -27.87 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.9 m -90.8 140.01 30.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 121.6 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.0 t -99.8 131.62 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.1 tm-20 -88.87 168.66 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.16 108.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 17.66 8.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.4 ttt180 -157.1 164.79 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.49 136.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.0 mt -83.92 127.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.5 155.04 27.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -81.76 158.24 24.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -83.95 -59.62 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.4 -49.76 69.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 60.8 p -39.03 -44.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.7 mt -44.96 -43.87 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -66.78 -30.22 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.87 21.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 107.62 9.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.0 t -100.25 144.33 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' ARG . 72.6 m -96.82 -55.57 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . 7.9 mtp85 -33.89 123.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.3 -65.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -91.76 36.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -43.39 114.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -84.28 34.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.22 142.69 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.4 tp -80.63 145.89 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.403 ' CG ' ' CB ' ' A' ' 63' ' ' SER . 18.0 m170 -107.1 101.28 37.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.7 Cg_endo -69.69 145.33 57.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.2 Cg_endo -69.8 172.55 12.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.9 m -64.48 -46.06 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 35.7 p-80 -57.24 -30.71 64.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.606 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 22.8 mt -86.17 -41.38 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' LEU . 37.9 mttt -35.32 -44.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -42.93 -59.02 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -41.93 -53.66 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.9 0.381 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -109.57 157.04 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.5 mt -148.57 143.77 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.2 132.89 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -87.27 127.87 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.4 t -55.01 105.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -44.21 -53.71 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' PHE . 62.1 mt-30 -51.91 -56.87 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.6 t80 -38.36 -54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -45.74 -51.41 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -75.03 -23.59 58.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.25 31.59 10.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 p -117.91 31.99 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.116 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -106.53 99.52 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 t -85.04 26.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -108.04 129.42 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -55.02 175.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -75.23 -32.61 61.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -97.14 -0.32 47.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -100.3 -46.93 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.89 143.97 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -90.11 28.06 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -140.02 165.08 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.43 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . . . -98.37 142.67 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -119.94 92.61 46.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 122.5 9.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.48 66.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -44.98 -45.38 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -55.85 -41.56 74.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -75.57 137.82 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.15 130.24 41.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.34 131.48 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.16 162.46 15.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -53.29 107.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.56 16.18 10.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.2 ttm105 -156.17 167.93 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 58' ' ' ILE . 7.4 p -146.81 140.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.416 ' N ' HG22 ' A' ' 57' ' ' VAL . 72.1 mt -86.31 133.73 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.39 159.07 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.9 t -87.29 148.8 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -77.21 -60.91 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -52.24 -49.27 64.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' GLY . 54.8 p -40.53 -46.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.64 -40.97 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -69.06 -30.22 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.06 -14.83 23.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.82 106.66 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.6 150.04 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -103.31 -58.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 24.2 mtp180 -35.16 114.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -64.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' CYS . 52.7 p-10 -87.26 29.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASN . 11.9 t -35.55 114.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 10.1 ptpp? -83.23 36.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 12.7 m-85 -136.88 147.3 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 44' ' ' ALA . 12.9 tp -85.64 148.11 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -107.17 99.31 26.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.582 0.706 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.78 146.73 60.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.284 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.695 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.7 Cg_endo -69.75 172.63 12.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.7 m -65.74 -51.24 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 38.9 p-80 -50.46 -22.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 26.6 mt -95.68 -39.13 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -39.9 -43.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.3 m -48.67 -51.27 29.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -46.46 -50.22 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -117.15 162.83 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 mt -151.26 143.41 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.14 137.86 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 26' ' ' CYS . 98.5 t -89.17 135.46 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 52.4 t -70.31 104.7 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -40.26 -61.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' PHE . 2.3 mp0 -46.58 -61.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 26.7 t80 -35.5 -50.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -49.89 -58.51 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -66.36 -23.44 66.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.96 23.15 18.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.3 p -108.03 29.86 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 t -113.26 95.63 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -87.66 35.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -118.5 143.53 46.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -75.25 -178.06 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.65 -36.26 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.562 ' HA ' ' CE1' ' A' ' 81' ' ' HIS . 11.5 pt-20 -87.94 -4.19 58.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -100.81 -49.67 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.4 t -78.29 138.15 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -83.53 33.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 41.9 m-85 -140.28 166.39 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.56 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.531 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 6.0 m170 -120.16 92.5 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.431 ' CG ' HG21 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.72 139.79 41.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.85 26.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -56.57 -37.61 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -65.09 -41.21 95.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.5 m -71.54 132.01 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -77.78 134.86 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 46' ' ' PRO . 94.2 t -104.92 138.86 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . 6.9 tm-20 -92.22 167.03 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -52.28 107.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.42 11.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' GLU . 19.4 ttm180 -156.02 163.87 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.98 146.79 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.9 mt -91.91 140.61 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.59 156.97 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.65 148.65 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -78.17 -54.14 6.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.97 -51.53 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.5 p -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.45 -45.31 91.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.92 -28.7 69.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.76 -14.61 22.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -130.86 106.92 8.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.11 153.42 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ARG . 6.6 t -112.42 -41.7 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.9 mmt-85 -38.17 100.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -48.87 -61.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' CYS . 1.1 m120 -99.61 41.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.4 t -34.1 134.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -97.8 0.16 46.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 21.7 m-30 -115.37 148.16 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 77' ' ' HIS . 9.4 tp -79.05 156.85 28.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 20.2 m170 -108.02 95.52 15.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 146.46 60.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.695 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.9 Cg_endo -69.77 172.32 12.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 m -65.71 -50.22 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 47.1 p-80 -52.26 -21.55 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 16.4 mt -95.47 -49.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 4.9 ttpp -34.16 -47.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.1 m -42.86 -51.07 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -44.63 -45.1 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.853 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 p -112.69 148.29 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 25.4 mt -144.24 141.09 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.39 124.69 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.2 t -76.15 140.86 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 52.8 t -61.94 104.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 21.4 ttp-105 -36.84 -56.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 51.3 mm-40 -52.98 -58.15 7.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 44.7 t80 -38.04 -55.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -43.22 -49.56 6.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -72.37 -33.18 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.11 38.7 3.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -132.48 37.5 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -112.3 116.65 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -94.75 35.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -119.88 137.52 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -69.65 -178.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -74.67 -33.05 62.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -100.64 2.9 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.41 -48.32 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.24 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -7.97 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.48 167.64 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.24 140.92 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 4.9 m170 -117.9 92.67 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 177.42 5.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.49 -53.6 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -51.16 -43.44 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -73.11 132.72 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 5.3 tp-100 -64.32 152.6 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 51' ' ' GLN . 85.7 t -137.98 125.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' ARG . 14.7 tp10 -86.39 168.92 13.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.18 107.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.13 20.67 15.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' GLU . 28.7 ttm-85 -153.77 167.06 30.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.64 144.7 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.4 129.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 78' ' ' PRO . . . -77.26 145.47 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.59 148.15 48.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -75.28 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -49.51 -48.49 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 p -44.28 -35.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.1 mt -54.81 -44.0 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -68.6 -26.01 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.27 -12.53 33.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -130.44 105.67 8.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.6 t -100.03 151.42 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 1.7 t -117.01 -48.47 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.3 mtp180 -35.13 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.85 -68.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -86.09 37.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.6 t -40.81 110.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.08 34.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -137.78 143.52 41.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -84.02 150.33 25.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 11.4 m170 -104.72 98.26 14.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.565 0.698 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HG3' ' CB ' ' A' ' 59' ' ' ALA . 53.3 Cg_endo -69.81 150.53 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.672 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.0 Cg_endo -69.78 172.3 12.91 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -64.74 -55.67 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 52.9 p-80 -47.71 -20.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 84' ' ' THR . 18.8 mt -96.95 -57.6 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LEU . 36.7 mtmt -33.83 -33.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' LEU . 33.4 m -52.5 -57.02 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.492 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 4.1 pt20 -45.65 -33.62 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 p -109.52 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 mt -151.56 155.49 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.27 139.91 39.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.83 128.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 42.8 t -52.21 114.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.19 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.481 ' OE1' ' CG2' ' A' ' 33' ' ' THR . 13.0 mm-40 -57.59 -50.99 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 42.7 t80 -43.05 -55.12 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.34 -43.67 16.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -76.51 -31.82 57.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 29.56 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 10.0 t -124.6 39.67 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.98 97.77 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -89.32 37.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -119.77 129.44 54.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -63.53 -176.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.47 -35.22 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.57 -10.81 59.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -51.89 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.95 131.82 42.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -82.05 19.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 27.5 m-85 -123.73 159.12 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.76 130.8 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 2.8 m170 -116.73 92.66 38.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.36 10.99 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 176.48 6.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -57.0 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 m -51.42 -44.05 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -72.14 134.82 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -75.91 151.26 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -120.58 130.89 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.93 168.3 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -54.75 106.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.22 19.17 11.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -157.02 173.37 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.48 138.68 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.8 mt -87.58 135.06 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 157.44 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 137.54 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -71.04 -40.22 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.56 -52.3 33.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -41.35 -32.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 96.3 mt -56.13 -43.83 78.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -28.59 67.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.35 -11.91 26.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -131.11 106.94 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.31 155.98 17.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 70' ' ' ARG . 45.8 t -118.59 -52.44 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' SER . 21.5 mmt180 -33.58 111.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -69.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' CYS . 4.5 m120 -85.12 33.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -36.47 114.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -89.38 29.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -129.96 136.25 49.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.47 149.57 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -105.51 95.59 10.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.88 58.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.693 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.8 172.47 12.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -68.38 -42.37 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.693 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.3 p-80 -59.68 -22.98 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.7 mt -97.14 -41.17 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 31.2 mtpt -42.36 -46.25 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.3 m -42.12 -54.66 3.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -43.53 -47.65 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.379 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -139.18 147.78 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.2 140.14 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.25 116.96 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.69 126.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t -53.61 113.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -47.95 -59.84 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -48.55 -53.56 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.8 -54.08 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.59 -54.2 19.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -66.98 -24.6 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.54 37.17 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -133.24 37.98 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -109.01 99.94 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 t -85.49 24.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -105.05 119.01 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -56.29 167.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.83 -27.47 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.01 -4.04 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -105.65 -54.73 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.31 137.19 58.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -85.97 27.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -133.4 167.0 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.79 136.26 39.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -120.37 92.54 47.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' CG ' HG21 ' A' ' 52' ' ' VAL . 53.8 Cg_endo -69.69 128.15 15.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.67 52.55 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.735 2.29 . . . . 0.0 112.301 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -43.85 -55.73 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -50.93 -40.34 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 m -70.62 147.07 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.61 158.22 24.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 HG21 ' CG ' ' A' ' 46' ' ' PRO . 88.0 t -139.71 134.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' ARG . 19.8 tt0 -94.54 168.79 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -52.91 106.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.95 20.83 15.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 ttm-85 -157.14 163.86 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -146.22 145.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.3 mt -93.31 143.04 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.03 155.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.7 153.03 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CZ ' ' HE3' ' A' ' 65' ' ' LYS . 38.6 t80 -82.16 -58.27 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.97 -50.43 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -39.02 -45.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -45.4 -43.95 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HE3' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.49 -30.2 70.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.0 -12.5 24.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -130.02 105.03 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.85 145.52 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.6 m -98.05 -56.67 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.1 mtt180 -34.96 112.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -55.78 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -96.82 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' ASN . 22.9 t -34.82 129.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 8.64 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -115.56 141.41 48.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 tp -78.04 147.55 34.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -104.23 95.79 8.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.53 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.684 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.0 Cg_endo -69.71 172.42 12.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -67.39 -49.62 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.684 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -52.06 -21.36 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 26.3 mt -96.94 -39.83 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -39.61 -35.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.7 m -51.1 -54.08 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -42.26 -45.1 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.372 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 p -118.8 163.25 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -153.18 146.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -68.82 125.6 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -79.72 135.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -65.32 103.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.82 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 57.9 mt-30 -70.21 -46.43 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 20.8 t80 -50.44 -40.6 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -55.21 -54.75 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 3.0 mpt_? -61.51 -32.91 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 23.09 15.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 t -125.93 40.02 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.356 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.13 102.8 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 m -83.95 33.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -118.33 113.79 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -55.92 -176.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.55 -35.34 53.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -87.25 -7.67 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.59 -53.19 3.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 132.92 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -83.88 28.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.72 166.33 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.09 140.85 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m170 -120.87 92.58 48.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.29 25.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.13 13.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.63 -44.9 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -57.29 -41.74 80.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.2 m -68.3 143.25 55.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -85.39 123.98 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.94 130.65 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.4 mm-40 -84.79 168.93 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -54.11 106.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.85 17.63 9.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' GLU . 9.5 ttm180 -155.61 166.22 34.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 58' ' ' ILE . 13.2 p -143.66 143.07 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.439 ' N ' HG22 ' A' ' 57' ' ' VAL . 11.0 mt -89.72 143.62 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.65 161.31 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 t -84.23 149.71 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -81.38 -54.93 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.93 -49.5 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 p -40.9 -43.79 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -46.66 -41.95 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -68.72 -30.3 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.95 -14.35 21.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -130.49 107.2 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.13 151.24 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -110.41 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' SER . 19.5 mtt-85 -34.95 116.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' CD ' ' C ' ' A' ' 71' ' ' GLU . 2.3 tm-20 -60.06 -72.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' CYS . 26.2 t-20 -86.73 34.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.4 t -34.42 113.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -78.49 -1.75 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -99.4 137.44 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.8 149.08 32.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.6 m170 -103.27 97.11 9.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.821 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.75 148.68 65.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.7 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.3 Cg_endo -69.79 170.26 17.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 m -60.55 -58.93 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.6 p-80 -44.38 -23.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 20.1 mt -96.21 -40.71 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' LEU . 6.0 ttmt -35.21 -57.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -45.07 -45.74 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -46.99 -46.19 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -122.25 157.24 32.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -153.56 136.15 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -65.93 118.79 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG23 ' CA ' ' A' ' 56' ' ' ARG . 59.5 t -65.73 139.82 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 38.3 t -61.6 115.75 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -66.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 29' ' ' PHE . 21.6 mp0 -44.1 -59.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.4 t80 -36.07 -52.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -55.55 -53.77 52.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -63.92 -23.37 67.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.821 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.01 36.72 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 t -130.9 38.01 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -124.06 97.91 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 p -97.29 38.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -109.66 157.73 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -82.74 177.55 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.2 -31.73 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -94.95 0.62 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -101.45 -47.44 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 t -79.16 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 27.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 35.9 m-85 -139.54 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.05 139.15 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -119.88 92.8 47.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.87 28.91 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 179.15 3.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -45.96 72.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 p -58.9 -26.9 64.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' SG ' ' C ' ' A' ' 75' ' ' TYR . 20.3 m -91.11 121.06 32.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -60.46 143.68 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -118.63 124.08 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -82.21 168.64 17.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.11 106.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 23.38 22.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' CA ' HG23 ' A' ' 25' ' ' VAL . 16.4 ttp180 -155.41 168.18 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -155.29 137.79 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.47 131.3 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.76 150.35 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.49 146.87 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -81.4 -46.36 14.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 -50.08 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -40.71 -42.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.3 mt -45.61 -43.02 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 67' ' ' ARG . . . 113.94 -12.27 22.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -131.12 105.66 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -100.32 150.0 23.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.7 t -112.67 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 56.1 mtt85 -34.42 112.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.28 -43.29 78.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' CYS . 2.7 m-20 -98.97 26.32 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ASN . 20.0 t -36.89 109.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -86.84 21.91 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 44.5 m-85 -127.32 136.37 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.57 152.79 37.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.405 ' N ' ' CD2' ' A' ' 77' ' ' HIS . 8.1 m170 -104.23 98.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.7 148.5 65.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.403 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.647 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.5 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -60.75 -63.03 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 53.3 p-80 -41.48 -29.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.5 mt -88.83 -39.74 13.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -40.15 -39.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -58.32 -51.61 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -42.65 -35.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -107.24 159.68 16.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -152.62 141.78 21.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 124.59 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.33 147.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 49.7 t -71.56 103.89 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -38.4 -55.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' PHE . 60.8 mt-30 -54.16 -56.78 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t80 -37.12 -54.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -46.73 -50.95 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mpt_? -71.07 -29.51 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.45 20.38 20.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 42.0 p -108.84 34.71 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 t -116.25 111.11 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -102.05 31.58 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -115.94 137.49 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p -70.88 -175.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.03 -33.6 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -79.35 -15.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.07 -54.53 2.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.08 133.98 51.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -80.33 14.2 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 19.7 m-85 -122.88 162.23 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.72 134.77 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -117.35 92.86 41.43 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.45 42.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.22 13.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.24 93.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.2 p -61.82 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -70.0 143.87 52.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -80.92 142.88 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.69 128.19 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -84.38 168.86 15.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -53.53 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.67 26.64 40.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -155.16 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.69 139.04 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -83.03 140.36 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.09 160.09 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -88.5 149.48 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -78.31 -57.63 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.45 -49.56 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -42.05 -40.08 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.15 -40.46 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.07 -30.17 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.17 -16.72 19.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -131.07 107.22 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -100.26 138.47 37.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -100.53 -38.81 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -38.9 118.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.52 -62.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' CYS . 42.5 t30 -100.07 40.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.2 t -33.92 132.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.68 -0.85 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' HE2' ' A' ' 74' ' ' LYS . 22.2 m-85 -113.81 139.12 49.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.2 tp -73.6 153.73 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.5 m170 -105.28 95.45 9.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.7 Cg_endo -69.8 150.51 68.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.711 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.8 Cg_endo -69.77 173.01 11.6 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.8 m -65.4 -52.36 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.711 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -49.96 -26.97 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.606 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 25.3 mt -93.88 -39.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -42.66 -44.64 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.7 m -53.47 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -49.0 -25.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -138.96 145.88 40.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -142.66 135.56 28.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.02 114.69 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.64 134.26 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.3 t -54.94 135.49 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -67.04 -60.77 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -48.26 -41.82 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -55.31 -50.15 70.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -52.43 -55.1 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -64.76 -30.0 71.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.33 37.28 4.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -131.18 34.93 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.166 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.3 t -117.99 106.24 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -102.52 35.22 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -117.01 119.81 36.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -56.83 156.52 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.83 -27.36 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -81.11 -16.67 52.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.87 -56.46 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 138.21 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -83.98 32.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 22.2 m-85 -139.56 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 76' ' ' LEU . . . -100.11 133.37 44.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -118.68 92.5 44.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.87 9.55 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 168.05 22.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -48.07 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.7 m -54.25 -41.51 68.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.68 125.0 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.28 147.63 50.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.64 132.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -86.32 167.11 15.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -52.17 107.09 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.58 20.65 18.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . 7.0 ttt85 -156.22 173.45 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 p -150.46 137.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.89 134.66 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.54 147.71 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.67 144.88 45.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -77.57 -53.14 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.54 -51.62 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLY . 13.7 p -40.33 -47.06 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -41.54 -42.42 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -70.91 -31.63 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.45 -11.16 23.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -131.0 104.67 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.3 t -100.19 156.38 17.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.6 t -120.88 -48.04 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.8 mmt180 -34.49 115.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.53 -70.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -86.77 35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.2 t -38.2 115.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -87.93 36.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -139.61 138.41 36.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 7.3 tp -75.74 151.83 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 16.4 m170 -107.95 96.41 17.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.72 148.26 64.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.1 Cg_endo -69.78 174.08 10.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.5 m -63.37 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 48.9 p-80 -40.63 -41.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 18.3 mt -75.61 -55.71 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' LEU . 30.2 mtpt -33.0 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' LEU . 86.3 m -50.82 -52.38 41.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -43.48 -48.88 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -118.04 154.39 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 74.3 mt -146.78 147.96 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.88 137.9 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 26' ' ' CYS . 91.5 t -86.49 135.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.423 ' N ' HG12 ' A' ' 25' ' ' VAL . 42.9 t -61.8 117.99 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -55.2 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.98 -42.96 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 46.4 t80 -53.7 -48.68 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.11 -50.39 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -71.08 -28.89 64.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.49 33.37 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -129.03 40.32 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.59 102.02 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 t -85.5 31.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -111.22 128.64 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 m -59.67 172.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.48 -30.57 66.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.62 3.2 42.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.63 -44.21 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.79 138.52 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -85.7 30.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -140.19 168.58 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 76' ' ' LEU . . . -100.16 130.57 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.7 m170 -116.51 92.53 37.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.34 21.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.76 9.02 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -64.16 -38.85 92.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -64.36 -39.24 93.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -72.2 143.68 48.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -81.72 123.8 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -96.94 128.12 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.6 165.38 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -57.7 106.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.66 24.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -157.11 174.24 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 58' ' ' ILE . 7.7 p -151.26 148.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.446 ' N ' HG22 ' A' ' 57' ' ' VAL . 45.7 mt -92.0 133.93 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.61 125.67 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.41 148.13 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.06 -54.22 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -57.03 -50.34 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 p -42.98 -33.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.79 -44.58 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.97 -28.81 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.42 -12.59 25.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -130.98 105.77 7.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.18 146.14 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ARG . 73.5 m -108.84 -42.16 4.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' SER . 10.7 mmp_? -34.22 116.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.27 -74.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' CYS . 31.1 m-20 -87.5 33.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ASN . 45.8 t -35.97 125.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 7.53 46.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -104.62 136.13 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 16.6 tp -74.67 147.7 41.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -103.62 97.17 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.606 0.717 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.22 66.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.694 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.5 Cg_endo -69.78 172.94 11.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -69.67 -43.43 72.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.3 p-80 -56.99 -26.09 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.606 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 24.9 mt -91.34 -40.88 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -39.89 -37.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.6 m -49.82 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.506 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 3.6 pt20 -40.75 -31.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -123.23 162.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 80.4 mt -154.21 144.36 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -74.59 112.51 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 85.5 t -64.67 131.82 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ARG . 44.1 t -52.26 104.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.8 ptt180 -34.9 -59.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' PHE . 3.2 mm100 -51.82 -59.93 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' GLN . 40.0 t80 -35.42 -55.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.69 -49.14 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -77.8 -26.11 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.09 29.32 8.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.1 p -113.34 32.76 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -119.06 110.73 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -99.2 35.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -119.29 149.6 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -82.71 -176.3 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -77.39 -32.57 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 39' ' ' GLU . 1.4 tm-20 -81.77 -14.0 56.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -100.48 -55.28 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.75 134.77 52.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -84.17 32.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.41 168.37 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.97 134.25 43.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -118.45 92.76 44.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 129.98 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.22 19.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.223 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -59.42 -40.53 87.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.8 m -61.83 -42.69 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.5 m -73.14 136.36 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.64 135.7 48.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -111.48 125.89 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -84.93 160.72 20.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -53.18 107.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.36 16.29 27.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -154.81 171.22 19.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 58' ' ' ILE . 13.2 p -147.72 144.95 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 ' N ' HG23 ' A' ' 57' ' ' VAL . 84.7 mt -93.03 125.54 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.85 152.33 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.86 152.42 33.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.47 -54.91 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.03 -49.91 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 33.1 p -39.97 -38.05 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.92 -44.76 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -66.15 -28.6 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.98 -15.7 21.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -130.49 110.44 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.09 150.07 22.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 34.9 m -106.03 -53.34 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 67.6 mtt-85 -35.12 122.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -95.06 39.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -38.68 115.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -86.91 35.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.426 ' CD1' HG21 ' A' ' 58' ' ' ILE . 65.4 m-85 -138.84 139.21 38.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 7.9 tp -76.58 154.02 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 17.4 m170 -109.69 98.67 34.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.76 148.59 65.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.269 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.604 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.8 Cg_endo -69.81 171.47 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.258 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m -60.26 -62.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.0 p-80 -42.39 -25.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 17.8 mt -93.41 -38.82 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -40.85 -44.56 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -52.62 -53.65 44.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -43.33 -49.96 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -109.22 151.52 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -146.41 142.5 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.64 127.4 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.13 136.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.85 104.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.5 mtm-85 -37.49 -55.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -51.65 -55.73 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -45.58 -51.96 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -70.92 -29.86 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.17 31.43 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.6 p -116.41 20.27 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -102.13 106.92 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 p -99.32 37.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -117.22 132.52 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -62.38 178.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -66.66 -41.12 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -87.75 0.35 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -100.15 -38.51 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.96 144.36 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 29.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 44.2 m-85 -138.88 169.9 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.27 132.05 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -118.88 92.66 45.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.15 19.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -57.17 -43.79 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 m -57.84 -41.71 82.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.0 134.96 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -68.6 135.99 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.9 t -110.32 130.41 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 166.92 14.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -55.73 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.64 18.38 10.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.9 ttm105 -155.53 172.18 18.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 58' ' ' ILE . 14.6 p -152.14 144.06 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 57' ' ' VAL . 5.5 mt -88.59 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.87 134.22 42.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.5 146.74 53.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.79 -56.79 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.39 -53.06 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 p -38.66 -38.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.12 -46.26 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.66 -30.37 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.65 -12.98 25.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 67' ' ' ARG . 17.1 mtm105 -130.92 104.99 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.22 153.64 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.3 p -108.61 -34.29 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -53.06 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -47.14 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' CYS . 16.0 p-10 -93.52 40.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 t -36.39 121.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -84.16 6.94 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.07 141.31 48.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 tp -73.61 147.33 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -105.75 100.33 26.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.18 66.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.672 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.2 Cg_endo -69.79 170.04 17.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -65.32 -45.73 83.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.2 p-80 -57.06 -21.24 29.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 23.3 mt -96.21 -47.62 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.3 ttpt -35.88 -38.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.4 m -48.85 -48.38 41.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -48.34 -46.19 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.89 133.91 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -116.22 157.27 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.08 138.02 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -85.84 143.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -70.27 108.07 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -54.05 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.86 -48.72 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.13 -54.25 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -47.87 -47.03 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.08 -32.71 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.43 37.41 3.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -134.11 39.17 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -116.67 93.63 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 m -87.49 38.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -117.18 133.77 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' ' HB3' ' A' ' 40' ' ' GLU . 32.3 p -71.53 171.93 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.13 -40.24 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -89.64 1.93 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 37' ' ' SER . 48.0 tt0 -100.82 -41.52 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.35 146.85 23.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -90.01 17.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.511 ' CD1' ' HG3' ' A' ' 42' ' ' LYS . 29.8 m-85 -126.63 169.43 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.01 38.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -119.84 92.79 47.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.06 18.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -50.97 -37.73 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 m -64.0 -36.15 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.3 m -81.73 142.13 32.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -73.45 167.08 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -141.3 126.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' ARG . 65.5 mm-40 -81.93 169.07 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -53.05 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.39 17.45 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' GLU . 10.5 ttm105 -155.94 170.02 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 58' ' ' ILE . 9.6 p -144.73 147.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.457 ' N ' HG22 ' A' ' 57' ' ' VAL . 59.4 mt -91.06 141.64 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 148.1 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.79 147.28 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -76.57 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -55.94 -51.87 66.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.9 p -39.84 -27.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.5 mt -61.86 -45.91 91.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -64.74 -28.73 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.07 -15.75 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -130.9 109.09 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -100.11 153.65 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ARG . 33.2 m -108.82 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.3 mtp180 -36.27 126.09 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -69.2 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' CYS . 5.3 m120 -90.38 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.7 t -36.13 109.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -71.2 -15.07 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.83 134.25 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.4 149.69 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 10.7 m170 -100.25 99.85 10.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.705 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.3 Cg_endo -69.74 149.56 67.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.559 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.9 Cg_endo -69.74 171.85 13.7 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' LEU . 5.6 m -60.25 -67.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.4 p-80 -37.3 -32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.9 mt -82.61 -49.87 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -43.15 -42.39 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.2 m -51.4 -48.79 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -46.84 -49.84 19.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.1 t -162.06 132.18 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -78.39 145.15 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.04 111.14 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -125.99 127.11 45.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 p -129.88 121.36 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.41 74.58 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.99 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.03 140.57 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -41.7 150.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -104.34 -56.06 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 p -88.31 80.67 7.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -93.85 -42.98 8.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.0 p-90 -99.17 28.64 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 mt -134.42 37.93 3.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -123.71 154.03 40.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -148.88 138.53 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.77 110.71 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.53 130.75 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 47.6 t -50.72 119.48 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.24 -54.47 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.73 -50.99 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -43.82 -52.04 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.33 -55.25 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -61.48 -28.51 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.53 36.64 5.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -131.09 35.8 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -116.76 93.13 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -84.35 29.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -115.69 128.25 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 p -63.89 -175.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -33.68 61.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.64 -9.33 58.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -100.45 -52.24 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -74.46 139.25 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -83.4 35.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.44 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 84.5 m-85 -139.98 170.25 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.01 126.53 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -114.58 92.42 28.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.53 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -69.04 -39.24 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 p -63.86 -43.23 96.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.5 130.06 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -70.81 125.01 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -98.72 132.17 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.79 163.59 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.71 106.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.59 17.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -156.0 166.32 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.24 142.01 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.1 mt -89.97 133.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.99 136.97 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.09 153.64 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -85.09 -60.56 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -42.08 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.4 p -45.87 -47.75 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -47.46 -34.97 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -72.65 -28.74 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.73 -15.69 26.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.61 105.99 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.91 152.18 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.9 t -115.58 -43.9 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 44.7 mtt-85 -36.33 110.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -59.37 -59.61 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' CYS . 33.9 p-10 -96.27 35.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.5 t -35.25 124.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -87.68 -21.08 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.36 142.57 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 tp -81.78 153.71 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 5.5 m170 -103.75 98.83 13.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.282 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.604 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.2 Cg_endo -69.76 164.5 34.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -57.03 -57.57 11.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.7 p-80 -46.18 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 18.0 mt -96.79 -38.0 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -43.11 -43.78 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.2 m -49.71 -53.02 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -40.75 -53.58 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.4 mt -47.38 -38.55 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -72.14 -47.98 46.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 85.2 mt -41.57 -45.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.7 m120 57.54 48.43 14.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' ASN . 31.2 t -36.26 122.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.81 85.15 0.34 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.15 69.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -83.26 123.84 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -98.19 41.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.453 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -117.74 81.58 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -152.48 127.63 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.45 -127.14 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -123.09 108.04 12.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -133.8 133.65 41.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.97 -95.62 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.01 133.48 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -94.33 141.74 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -157.97 116.39 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.6 m 57.43 41.68 25.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.2 tptt -85.29 -44.29 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.521 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 6.3 p-90 -49.54 -38.8 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.521 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 40.9 mt -68.89 87.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -138.98 151.54 46.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -152.61 141.94 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.57 125.49 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 95.4 t -81.2 129.22 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.402 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.13 121.75 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -56.07 -62.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -47.87 -45.05 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 37.2 t80 -48.14 -51.42 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -49.93 -58.48 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -67.64 -22.9 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.93 30.09 10.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 p -118.13 34.46 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.56 101.56 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -86.92 23.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -111.05 126.7 55.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -58.15 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.32 -32.27 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.43 -9.78 51.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -102.76 -56.19 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -55.49 139.3 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 43' ' ' PHE . 17.1 pttt -84.26 29.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' CE1' ' HE2' ' A' ' 42' ' ' LYS . 69.0 m-85 -139.37 162.79 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.34 135.37 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.3 m170 -118.25 91.74 41.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 143.37 50.66 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 178.85 4.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -68.71 -33.47 73.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.8 m -77.91 7.11 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.567 ' HG ' ' N ' ' A' ' 76' ' ' LEU . 2.0 t -100.33 142.02 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -87.17 109.13 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.65 128.58 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ARG . 11.6 mt-10 -89.72 169.23 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.84 106.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.97 22.0 18.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLU . 6.6 ttm180 -157.15 171.17 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 25' ' ' VAL . 9.6 p -142.59 140.93 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.1 mt -89.05 129.16 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.05 162.49 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 t -85.0 155.18 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -88.93 -56.57 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.5 -47.6 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.483 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 23.4 p -42.95 -37.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.9 mt -53.35 -41.24 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -68.83 -28.19 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.22 -13.52 26.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -131.0 107.79 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 t -99.89 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.4 m -106.56 -56.69 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' SER . 47.3 mmt-85 -33.3 113.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.85 -71.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -83.25 37.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.58 111.95 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -85.09 33.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -129.78 132.17 46.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.567 ' N ' ' HG ' ' A' ' 50' ' ' CYS . 14.2 tp -75.58 147.56 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 10.1 m170 -104.28 96.91 10.62 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 110.83 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.73 152.13 69.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.83 172.07 13.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 m -66.87 -39.99 87.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.7 p-80 -64.01 -20.53 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 17.8 mt -96.31 -49.19 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -43.46 -26.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.2 m -62.57 -41.75 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -53.87 -23.85 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 46.0 mt -75.86 -58.65 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -58.12 -35.44 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.7 mt -50.46 -42.34 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.7 142.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.1 p -113.61 162.95 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.16 170.65 54.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t 49.18 42.31 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 110.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.465 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 m -47.47 131.41 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -76.88 98.36 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.75 -107.74 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 m -66.44 -59.91 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -86.51 145.98 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.7 137.92 7.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' PRO . 9.8 p -35.88 143.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' VAL . 19.3 ttm180 -37.13 142.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.18 158.04 34.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.4 p -117.27 43.55 2.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -48.4 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -76.19 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.4 36.4 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -124.13 137.93 54.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -119.15 163.79 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.42 142.17 31.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.15 143.3 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ARG . 43.1 t -69.89 105.6 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tpp85 -35.93 -63.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' PHE . 23.6 mt-30 -47.42 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' GLN . 25.7 t80 -35.83 -48.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.63 -59.85 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -65.45 -24.71 67.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.29 30.58 7.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -113.37 29.54 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 t -120.21 128.54 53.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -122.37 27.11 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -109.44 141.08 42.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.0 t -80.9 162.49 23.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -26.14 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.68 -21.49 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -99.87 -59.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.39 133.52 52.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -83.96 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 90.4 m-85 -137.38 168.17 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.93 126.76 46.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -111.52 92.58 16.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.609 0.719 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 129.46 17.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.89 11.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -61.7 -45.67 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.2 p -58.86 -40.23 83.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.9 m -74.04 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -68.71 128.78 37.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' N ' ' OE1' ' A' ' 51' ' ' GLN . 60.1 t -100.23 132.25 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 56' ' ' ARG . 15.8 mt-10 -90.17 168.44 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -53.86 106.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.78 17.46 6.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 12.1 ttp180 -155.44 170.71 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 58' ' ' ILE . 7.7 p -149.46 137.98 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 57' ' ' VAL . 49.7 mt -84.07 137.04 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.88 155.76 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.0 t -82.74 145.92 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -73.13 -58.29 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -53.85 -52.91 58.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.463 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 57.0 p -39.46 -34.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.1 -46.02 65.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -29.95 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.84 -11.38 22.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -130.77 105.89 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -100.1 156.16 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ARG . 81.7 p -107.42 -56.0 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' SER . 54.3 mmt-85 -35.38 122.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.98 -74.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' CYS . 40.4 t30 -89.19 38.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -35.34 117.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -84.14 36.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.91 140.8 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 tp -76.94 145.42 38.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' CG ' ' CB ' ' A' ' 63' ' ' SER . 21.9 m170 -105.35 97.83 14.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 146.77 61.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.397 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.58 ' HB2' ' CE1' ' A' ' 81' ' ' HIS . 53.7 Cg_endo -69.75 172.64 12.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' HIS . 5.8 m -59.29 -68.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.598 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 43.8 p-80 -36.17 -39.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.598 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 20.1 mt -76.91 -46.26 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' THR . 29.5 mtpt -41.94 -50.0 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.9 m -54.0 -35.03 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.79 -38.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.6 -40.3 75.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.48 -45.19 69.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.414 ' O ' ' C ' ' A' ' 89' ' ' ASN . 78.3 mt -40.73 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' ILE . 2.2 p-10 -36.93 -44.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 89' ' ' ASN . 49.2 m -89.49 138.75 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.98 -168.03 23.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.08 64.1 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.5 m -57.88 151.59 17.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t 49.88 42.32 23.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.1 p -135.25 114.03 11.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -164.46 118.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.53 153.92 7.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 p -102.09 43.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -64.88 -53.32 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.81 141.01 16.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 124.23 10.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.7 137.08 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -128.88 87.95 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -53.76 151.19 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.408 ' CG2' HG23 ' A' ' 58' ' ' ILE . 37.3 m -83.17 74.87 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -100.82 -39.97 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.476 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 32.2 p-90 -84.94 -13.04 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 47.8 mt -98.65 40.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.56 153.12 34.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -136.19 146.3 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -75.5 118.24 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.48 140.32 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 43.2 t -67.8 107.9 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -39.16 -61.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 16.6 mp0 -49.97 -57.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 31.9 t80 -37.88 -54.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -48.78 -58.24 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -62.61 -28.46 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.63 20.62 21.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -106.57 28.68 7.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 t -117.87 106.75 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -101.57 30.81 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -108.32 126.78 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -58.25 -178.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.66 -31.2 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -85.24 -5.27 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -104.87 -51.45 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -74.25 135.54 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 28.5 pttt -85.57 34.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 92.3 m-85 -139.91 167.4 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.12 129.66 46.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.0 m170 -115.87 92.53 34.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 135.09 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 175.08 8.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -64.0 -50.24 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -51.33 -34.88 35.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.3 m -84.16 133.75 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.72 150.07 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.1 t -122.71 129.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.14 165.74 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -52.39 106.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.91 23.29 22.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -156.17 174.05 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -157.15 148.66 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.408 HG23 ' CG2' ' A' ' 18' ' ' THR . 67.5 mt -89.52 133.18 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.93 130.69 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -59.39 146.36 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 5.4 t80 -84.21 -54.68 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.33 -48.62 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.438 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 49.0 p -43.95 -36.05 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.15 -42.79 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.59 -10.39 32.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -130.99 108.73 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.43 152.73 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.8 m -112.56 -54.79 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' SER . 15.1 mtp180 -33.24 116.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.46 -72.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' CYS . 24.0 m-80 -87.09 33.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ASN . 38.8 t -34.22 111.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -88.65 33.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -131.38 133.48 45.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.77 151.47 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.438 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 21.4 m170 -107.8 97.38 20.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.8 Cg_endo -69.76 147.73 63.55 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.685 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.81 172.01 13.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.3 m -58.1 -65.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 56.6 p-80 -40.57 -29.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.538 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 21.3 mt -89.26 -35.52 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' THR . 4.4 mtmp? -47.06 -28.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.0 m -63.19 -56.98 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -39.85 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.89 -56.12 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -65.76 -24.16 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 55.4 mt -72.11 -39.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -39.37 111.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -54.72 131.51 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.22 -97.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -21.03 33.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -170.67 130.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -123.95 42.02 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.445 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 54.39 41.71 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.885 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 m -123.17 160.54 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 107.3 1.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -152.89 163.34 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 p -169.32 157.62 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.92 -178.83 37.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -178.3 2.26 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.77 128.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -94.72 88.46 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.8 98.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.2 p -102.68 38.17 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -63.04 -27.25 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.423 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 38.2 p-90 -106.74 -7.57 17.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 36.9 mt -103.04 44.54 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.53 152.72 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.2 mt -145.46 140.87 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.32 114.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.4 t -65.59 141.75 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.477 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 44.9 t -57.41 109.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.88 -36.67 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.57 ' NE2' HH21 ' A' ' 31' ' ' ARG . 53.3 mm-40 -70.83 -54.76 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 38.1 t80 -41.42 -55.37 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.51 -52.7 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.57 HH21 ' NE2' ' A' ' 28' ' ' GLN . 40.6 mtm180 -68.71 -25.09 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.74 37.82 8.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.4 t -129.28 30.18 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.2 t -106.55 114.02 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 m -95.88 29.98 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -118.04 146.13 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.1 m -78.89 -176.51 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -34.61 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 6.8 tm-20 -83.44 -11.15 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -53.37 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.73 149.5 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -82.74 -1.29 51.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CD2' ' HA ' ' A' ' 26' ' ' CYS . 5.1 m-85 -120.79 167.39 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.82 146.44 26.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.5 m170 -124.49 92.74 47.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 133.16 24.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.07 61.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -44.21 -47.76 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.8 p -56.1 -36.61 68.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 m -78.04 134.43 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -74.85 151.42 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.0 t -134.04 131.94 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.71 168.39 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -51.98 108.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.57 22.88 26.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -157.08 172.75 18.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.1 p -153.24 143.28 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.7 mt -86.95 136.87 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.05 153.44 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.91 155.14 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -85.51 -56.69 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -56.87 -51.17 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 66' ' ' GLY . 15.0 p -39.02 -45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -44.05 -44.35 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.47 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 112.59 -12.75 25.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.86 104.89 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.48 152.12 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 25.4 m -109.99 -51.36 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 22.8 mmt180 -35.62 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -46.8 -65.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' CYS . 18.3 p30 -92.96 36.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 18.0 t -35.05 130.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -90.92 -13.74 32.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.11 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.3 tp -75.36 148.18 39.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.42 ' CD2' ' N ' ' A' ' 77' ' ' HIS . 6.4 m170 -102.63 96.8 7.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.73 146.92 61.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.566 ' HB2' ' CE1' ' A' ' 81' ' ' HIS . 54.0 Cg_endo -69.76 172.19 13.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 83' ' ' LYS . 28.1 m -58.27 -70.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 79' ' ' PRO . 46.5 p-80 -35.87 -39.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 17.9 mt -75.95 -43.26 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.1 ttpp -38.14 -54.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 m -39.03 -46.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -48.86 -48.12 42.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.62 -42.55 45.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.48 -51.37 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ASN . 64.9 mt -38.39 -37.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' ILE . 25.3 t30 -35.63 -45.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 p -62.87 118.37 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.32 142.78 39.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.73 2.286 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 p -55.12 129.72 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t 42.01 41.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -65.22 128.84 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -79.13 104.46 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.75 133.59 4.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.5 m -44.46 137.66 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -91.91 41.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 179.98 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.11 8.52 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.09 148.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -86.78 44.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.6 39.61 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.447 ' CG2' HG22 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -109.15 50.2 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -95.26 -37.17 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -97.19 26.09 5.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.3 mt -132.1 45.62 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.417 ' CG2' ' HE ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -134.32 155.95 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -146.19 142.35 28.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -65.69 116.1 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.05 128.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 53.5 t -48.19 110.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -43.34 -58.51 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.74 -53.87 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE2' ' HD2' ' A' ' 46' ' ' PRO . 28.3 t80 -42.44 -52.23 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -48.29 -49.64 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -74.45 -25.63 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.3 21.37 25.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -112.28 39.24 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.129 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -118.66 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -98.82 30.9 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -115.36 140.16 49.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -75.2 -177.96 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.87 -32.23 51.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -77.11 -18.99 57.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -101.01 -55.8 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.44 132.02 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -83.8 32.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LYS . 2.9 m-85 -137.75 163.13 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.09 135.05 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -118.23 92.32 42.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CE2' ' A' ' 29' ' ' PHE . 53.9 Cg_endo -69.72 122.05 8.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.02 7.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.86 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -55.72 -37.38 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.22 137.36 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.75 156.39 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -132.3 123.39 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -88.06 165.23 15.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -53.86 106.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.87 21.03 15.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.417 ' HE ' ' CG2' ' A' ' 22' ' ' THR . 10.3 ttp180 -155.34 167.88 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.9 p -151.88 139.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.447 HG22 ' CG2' ' A' ' 18' ' ' THR . 43.5 mt -84.79 133.4 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.89 131.09 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.057 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.41 139.48 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.61 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.93 -51.01 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 p -40.29 -46.72 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -46.65 -40.97 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -67.57 -29.74 69.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.25 -15.04 25.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -130.82 107.36 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.25 153.03 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 41.2 t -114.03 -53.07 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.7 mtp180 -34.7 109.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -90.82 41.4 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.1 t -42.64 116.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -87.54 37.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -141.05 137.6 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.438 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 14.6 tp -76.79 151.06 36.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.8 m170 -106.53 95.34 11.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.252 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.653 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.4 Cg_endo -69.69 172.31 12.81 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.409 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.5 m -51.18 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.653 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.3 p-80 -39.83 -49.29 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.568 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 16.1 mt -67.08 -29.8 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' THR . 7.5 ttpp -70.79 -42.4 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -59.62 -37.8 79.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -61.39 -21.81 64.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 mt -79.95 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 12.3 pt-20 -48.62 -36.31 15.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.466 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 61.7 mt -56.8 -40.04 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 63.37 46.58 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.0 p -106.02 127.49 53.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.1 154.74 22.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.93 58.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.68 153.37 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.3 t -136.52 113.43 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -81.49 -44.51 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m 52.58 49.54 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.95 132.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -88.09 86.89 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 110.907 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -154.99 118.14 4.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.67 78.49 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -12.3 32.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -136.38 134.27 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 33.7 ptt85 -124.38 -41.38 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 7.1 m-20 -65.91 130.89 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.8 p -81.62 53.68 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -29.61 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.503 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 30.6 p-90 -99.15 -18.4 17.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 34.0 mt -93.36 37.58 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -116.55 156.24 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 34.3 mt -147.42 148.21 31.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.83 124.61 27.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 135.25 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.5 t -45.11 121.38 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -48.61 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -51.0 -56.33 12.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -39.81 -55.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -45.13 -46.16 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -75.9 -32.08 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.3 6.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -123.59 37.1 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -120.85 109.54 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.8 m -99.78 33.11 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -117.58 135.18 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -68.35 179.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.77 -29.51 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.96 -15.61 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.25 -55.22 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.4 143.44 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' HE2' ' CE2' ' A' ' 43' ' ' PHE . 22.8 pttt -84.11 27.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CE2' ' HE2' ' A' ' 42' ' ' LYS . 89.1 m-85 -139.96 170.1 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.09 132.75 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -117.59 92.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 118.86 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.97 29.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -34.89 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -65.12 -27.87 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.9 m -90.8 140.01 30.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 121.6 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.0 t -99.8 131.62 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.1 tm-20 -88.87 168.66 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.16 108.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 17.66 8.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.4 ttt180 -157.1 164.79 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.0 p -140.49 136.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.0 mt -83.92 127.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.5 155.04 27.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -81.76 158.24 24.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -83.95 -59.62 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.4 -49.76 69.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 60.8 p -39.03 -44.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.7 mt -44.96 -43.87 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -66.78 -30.22 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.87 21.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 107.62 9.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.0 t -100.25 144.33 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' ARG . 72.6 m -96.82 -55.57 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . 7.9 mtp85 -33.89 123.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.3 -65.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -91.76 36.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -43.39 114.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -84.28 34.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.22 142.69 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.4 tp -80.63 145.89 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.403 ' CG ' ' CB ' ' A' ' 63' ' ' SER . 18.0 m170 -107.1 101.28 37.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.7 Cg_endo -69.69 145.33 57.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.699 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.2 Cg_endo -69.8 172.55 12.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.9 m -64.48 -46.06 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 35.7 p-80 -57.24 -30.71 64.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.606 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 22.8 mt -86.17 -41.38 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' LEU . 37.9 mttt -35.32 -44.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -42.93 -59.02 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -41.93 -53.66 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt -51.02 -56.92 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.11 -56.03 14.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.8 mt -40.76 -40.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 64.63 44.74 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -150.17 112.0 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.38 -151.25 27.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.51 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.258 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t 52.53 41.65 31.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -109.96 166.21 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.494 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -129.51 42.09 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -86.43 42.25 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.54 117.75 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -76.34 168.19 20.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.818 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m 58.26 41.7 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.38 69.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -33.55 16.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.29 100.8 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -94.97 -53.6 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 37.77 42.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p 46.5 46.32 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -87.22 -2.57 58.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -106.57 35.32 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -109.57 157.04 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.5 mt -148.57 143.77 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.2 132.89 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.2 t -87.27 127.87 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.4 t -55.01 105.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -44.21 -53.71 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' PHE . 62.1 mt-30 -51.91 -56.87 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.6 t80 -38.36 -54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -45.74 -51.41 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -75.03 -23.59 58.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.25 31.59 10.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 p -117.91 31.99 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.116 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -106.53 99.52 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 t -85.04 26.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -108.04 129.42 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -55.02 175.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -75.23 -32.61 61.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -97.14 -0.32 47.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -100.3 -46.93 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.89 143.97 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -90.11 28.06 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -140.02 165.08 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.43 ' HB3' ' CD2' ' A' ' 76' ' ' LEU . . . -98.37 142.67 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -119.94 92.61 46.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 122.5 9.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 0.0 112.375 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.48 66.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -44.98 -45.38 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -55.85 -41.56 74.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -75.57 137.82 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.15 130.24 41.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.34 131.48 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.16 162.46 15.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -53.29 107.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.56 16.18 10.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.2 ttm105 -156.17 167.93 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 58' ' ' ILE . 7.4 p -146.81 140.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.416 ' N ' HG22 ' A' ' 57' ' ' VAL . 72.1 mt -86.31 133.73 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.39 159.07 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.9 t -87.29 148.8 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -77.21 -60.91 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -52.24 -49.27 64.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' GLY . 54.8 p -40.53 -46.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.64 -40.97 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -69.06 -30.22 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.06 -14.83 23.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.82 106.66 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.6 150.04 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -103.31 -58.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 24.2 mtp180 -35.16 114.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -64.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' CYS . 52.7 p-10 -87.26 29.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASN . 11.9 t -35.55 114.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 10.1 ptpp? -83.23 36.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 12.7 m-85 -136.88 147.3 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 44' ' ' ALA . 12.9 tp -85.64 148.11 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -107.17 99.31 26.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.582 0.706 . . . . 0.0 110.874 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.78 146.73 60.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.284 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.695 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.7 Cg_endo -69.75 172.63 12.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.7 m -65.74 -51.24 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 38.9 p-80 -50.46 -22.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.582 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 26.6 mt -95.68 -39.13 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -39.9 -43.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.3 m -48.67 -51.27 29.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -46.46 -50.22 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.1 mt -44.7 -51.63 9.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -52.45 -54.81 27.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.54 -64.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.28 95.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.1 p -118.82 -44.72 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.32 85.71 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -25.84 28.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 t -79.68 137.01 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.2 p -78.21 114.9 17.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.497 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -105.7 116.12 31.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -131.34 142.6 50.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.03 49.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.9 m -83.44 48.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -120.84 141.61 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -132.09 7.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.24 7.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -94.66 -32.36 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -164.76 128.77 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -123.93 -54.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 m -126.08 43.85 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -101.28 -37.56 8.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -89.41 -6.28 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 mt -105.71 40.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -117.15 162.83 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.0 mt -151.26 143.41 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.14 137.86 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 26' ' ' CYS . 98.5 t -89.17 135.46 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 52.4 t -70.31 104.7 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -40.26 -61.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' PHE . 2.3 mp0 -46.58 -61.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.531 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 26.7 t80 -35.5 -50.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -49.89 -58.51 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -66.36 -23.44 66.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.96 23.15 18.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.3 p -108.03 29.86 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 t -113.26 95.63 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -87.66 35.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -118.5 143.53 46.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -75.25 -178.06 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.65 -36.26 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.562 ' HA ' ' CE1' ' A' ' 81' ' ' HIS . 11.5 pt-20 -87.94 -4.19 58.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -100.81 -49.67 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.4 t -78.29 138.15 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -83.53 33.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 41.9 m-85 -140.28 166.39 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.93 132.56 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.531 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 6.0 m170 -120.16 92.5 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' CG ' HG21 ' A' ' 52' ' ' VAL . 53.7 Cg_endo -69.72 139.79 41.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.85 26.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -56.57 -37.61 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -65.09 -41.21 95.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.5 m -71.54 132.01 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -77.78 134.86 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 46' ' ' PRO . 94.2 t -104.92 138.86 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . 6.9 tm-20 -92.22 167.03 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -52.28 107.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.42 11.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' GLU . 19.4 ttm180 -156.02 163.87 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -139.98 146.79 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.9 mt -91.91 140.61 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.59 156.97 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.65 148.65 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -78.17 -54.14 6.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.97 -51.53 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.5 p -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.45 -45.31 91.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.92 -28.7 69.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.76 -14.61 22.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -130.86 106.92 8.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.11 153.42 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ARG . 6.6 t -112.42 -41.7 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.9 mmt-85 -38.17 100.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -48.87 -61.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' CYS . 1.1 m120 -99.61 41.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.4 t -34.1 134.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.579 ' HD3' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -97.8 0.16 46.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.579 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 21.7 m-30 -115.37 148.16 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.463 ' HG ' ' N ' ' A' ' 77' ' ' HIS . 9.4 tp -79.05 156.85 28.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 20.2 m170 -108.02 95.52 15.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 146.46 60.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.695 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.9 Cg_endo -69.77 172.32 12.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 m -65.71 -50.22 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 47.1 p-80 -52.26 -21.55 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 16.4 mt -95.47 -49.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 4.9 ttpp -34.16 -47.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.1 m -42.86 -51.07 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -44.63 -45.1 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.67 -40.07 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.81 -51.03 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ASN . 82.7 mt -39.53 -44.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ILE . 2.2 t-20 -35.76 103.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -129.16 100.97 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.37 89.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.6 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.5 p -73.83 -43.52 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.8 m -56.18 -51.64 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.471 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -131.39 167.91 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLY . 24.4 m -44.37 -43.59 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' SER . . . -35.78 123.0 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.542 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 m -143.13 154.0 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -125.13 151.22 46.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.14 -151.31 11.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 172.45 12.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 16' ' ' ARG . 27.7 m -74.98 -43.29 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' N ' HG21 ' A' ' 15' ' ' VAL . 2.6 tpt180 -119.11 87.81 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.42 132.75 35.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 20.1 p -82.37 49.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -79.11 -40.11 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -90.7 19.16 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.1 mt -120.42 39.63 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 p -112.69 148.29 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.492 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 25.4 mt -144.24 141.09 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.39 124.69 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.2 t -76.15 140.86 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 52.8 t -61.94 104.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 21.4 ttp-105 -36.84 -56.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 51.3 mm-40 -52.98 -58.15 7.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 44.7 t80 -38.04 -55.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -43.22 -49.56 6.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -72.37 -33.18 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.11 38.7 3.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -132.48 37.5 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -112.3 116.65 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -94.75 35.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -119.88 137.52 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -69.65 -178.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -74.67 -33.05 62.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -100.64 2.9 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.41 -48.32 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.24 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -7.97 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.48 167.64 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.24 140.92 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 4.9 m170 -117.9 92.67 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 177.42 5.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.49 -53.6 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -51.16 -43.44 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -73.11 132.72 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 52' ' ' VAL . 5.3 tp-100 -64.32 152.6 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 51' ' ' GLN . 85.7 t -137.98 125.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' ARG . 14.7 tp10 -86.39 168.92 13.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.18 107.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.13 20.67 15.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' GLU . 28.7 ttm-85 -153.77 167.06 30.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.64 144.7 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.4 129.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' CB ' ' HG3' ' A' ' 78' ' ' PRO . . . -77.26 145.47 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.59 148.15 48.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -75.28 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -49.51 -48.49 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 p -44.28 -35.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.1 mt -54.81 -44.0 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -68.6 -26.01 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.27 -12.53 33.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -130.44 105.67 8.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.6 t -100.03 151.42 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 1.7 t -117.01 -48.47 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.3 mtp180 -35.13 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.85 -68.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -86.09 37.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.6 t -40.81 110.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.08 34.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -137.78 143.52 41.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 tp -84.02 150.33 25.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 11.4 m170 -104.72 98.26 14.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.565 0.698 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HG3' ' CB ' ' A' ' 59' ' ' ALA . 53.3 Cg_endo -69.81 150.53 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.672 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.0 Cg_endo -69.78 172.3 12.91 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -64.74 -55.67 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 52.9 p-80 -47.71 -20.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 84' ' ' THR . 18.8 mt -96.95 -57.6 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LEU . 36.7 mtmt -33.83 -33.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' LEU . 33.4 m -52.5 -57.02 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.492 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 4.1 pt20 -45.65 -33.62 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.1 mt -80.69 -44.09 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.82 -49.89 75.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 57.5 mt -38.75 -61.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 t30 56.7 54.81 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 m -131.53 129.92 41.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.76 59.87 4.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.41 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -127.43 100.85 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 m -123.47 80.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 t -105.29 -50.94 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 p -73.43 146.04 45.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 66.57 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -98.61 41.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 m -90.89 -51.59 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.77 101.64 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -19.84 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.72 87.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -119.61 93.98 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -155.18 145.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.6 p -121.21 38.83 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -102.39 -30.17 11.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -102.04 -15.53 16.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 mt -95.51 41.08 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 p -109.52 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 mt -151.56 155.49 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.27 139.91 39.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.83 128.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 42.8 t -52.21 114.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.19 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' OE1' ' CG2' ' A' ' 33' ' ' THR . 13.0 mm-40 -57.59 -50.99 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 42.7 t80 -43.05 -55.12 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.34 -43.67 16.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -76.51 -31.82 57.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 29.56 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 10.0 t -124.6 39.67 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.98 97.77 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -89.32 37.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -119.77 129.44 54.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -63.53 -176.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.47 -35.22 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.57 -10.81 59.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -51.89 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.95 131.82 42.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -82.05 19.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 27.5 m-85 -123.73 159.12 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.76 130.8 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 2.8 m170 -116.73 92.66 38.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 124.36 10.99 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 176.48 6.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -57.0 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 m -51.42 -44.05 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -72.14 134.82 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -75.91 151.26 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -120.58 130.89 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.93 168.3 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -54.75 106.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.22 19.17 11.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -157.02 173.37 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.48 138.68 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.8 mt -87.58 135.06 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 157.44 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 137.54 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -71.04 -40.22 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.56 -52.3 33.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -41.35 -32.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 96.3 mt -56.13 -43.83 78.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -28.59 67.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.35 -11.91 26.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -131.11 106.94 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.31 155.98 17.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 70' ' ' ARG . 45.8 t -118.59 -52.44 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' SER . 21.5 mmt180 -33.58 111.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -69.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' CYS . 4.5 m120 -85.12 33.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -36.47 114.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -89.38 29.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -129.96 136.25 49.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.7 tp -73.47 149.57 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -105.51 95.59 10.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.815 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 145.88 58.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.693 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.8 172.47 12.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -68.38 -42.37 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.693 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.3 p-80 -59.68 -22.98 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.583 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.7 mt -97.14 -41.17 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 31.2 mtpt -42.36 -46.25 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.3 m -42.12 -54.66 3.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -43.53 -47.65 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -50.01 -45.77 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.08 -56.79 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 77.4 mt -44.15 -43.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -45.72 111.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -81.97 177.38 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.45 -76.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -4.43 13.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.9 m -60.66 132.66 54.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -103.1 81.36 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.506 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -79.12 159.5 27.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 t -42.97 133.7 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.6 144.18 18.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -93.8 145.47 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.3 p -91.81 167.41 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.66 119.46 15.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.435 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.9 67.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -108.77 -28.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -90.91 51.1 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -43.13 142.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 m -98.63 54.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -94.3 -42.83 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.5 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 9.0 p-90 -54.57 -31.89 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.5 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 30.5 mt -83.34 80.57 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -139.18 147.78 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.2 140.14 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.25 116.96 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.69 126.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t -53.61 113.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -47.95 -59.84 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -48.55 -53.56 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.8 -54.08 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.59 -54.2 19.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -66.98 -24.6 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.54 37.17 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.7 t -133.24 37.98 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -109.01 99.94 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 t -85.49 24.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -105.05 119.01 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -56.29 167.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.83 -27.47 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.01 -4.04 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -105.65 -54.73 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.31 137.19 58.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -85.97 27.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -133.4 167.0 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.79 136.26 39.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -120.37 92.54 47.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' CG ' HG21 ' A' ' 52' ' ' VAL . 53.8 Cg_endo -69.69 128.15 15.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.67 52.55 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.735 2.29 . . . . 0.0 112.301 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -43.85 -55.73 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -50.93 -40.34 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 m -70.62 147.07 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.61 158.22 24.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 HG21 ' CG ' ' A' ' 46' ' ' PRO . 88.0 t -139.71 134.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' ARG . 19.8 tt0 -94.54 168.79 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -52.91 106.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.95 20.83 15.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 ttm-85 -157.14 163.86 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -146.22 145.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.3 mt -93.31 143.04 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.03 155.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.7 153.03 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CZ ' ' HE3' ' A' ' 65' ' ' LYS . 38.6 t80 -82.16 -58.27 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.97 -50.43 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -39.02 -45.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -45.4 -43.95 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.489 ' HE3' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.49 -30.2 70.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.0 -12.5 24.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -130.02 105.03 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.85 145.52 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.6 m -98.05 -56.67 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.1 mtt180 -34.96 112.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -55.78 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -96.82 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' ASN . 22.9 t -34.82 129.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 8.64 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -115.56 141.41 48.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.9 tp -78.04 147.55 34.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -104.23 95.79 8.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.53 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.684 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.0 Cg_endo -69.71 172.42 12.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -67.39 -49.62 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.684 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -52.06 -21.36 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 26.3 mt -96.94 -39.83 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -39.61 -35.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.7 m -51.1 -54.08 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -42.26 -45.1 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.47 -41.76 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.88 -57.64 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 95.1 mt -40.42 -46.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -63.65 81.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -42.25 -53.09 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.04 -110.41 2.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.13 9.64 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -103.97 147.77 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.1 m -116.53 120.97 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.468 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -77.28 156.37 31.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.8 p -160.74 118.45 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.87 164.34 15.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 164.44 31.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -103.74 165.34 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.64 90.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.46 9.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -100.18 137.81 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -156.11 138.02 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.73 152.61 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.14 45.57 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -101.49 -33.12 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -83.9 -10.83 57.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 mt -98.16 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 p -118.8 163.25 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -153.18 146.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -68.82 125.6 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -79.72 135.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -65.32 103.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.82 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 57.9 mt-30 -70.21 -46.43 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 20.8 t80 -50.44 -40.6 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -55.21 -54.75 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 3.0 mpt_? -61.51 -32.91 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 23.09 15.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 t -125.93 40.02 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.356 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.13 102.8 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 m -83.95 33.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -118.33 113.79 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -55.92 -176.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.55 -35.34 53.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -87.25 -7.67 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.59 -53.19 3.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 132.92 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -83.88 28.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.72 166.33 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.09 140.85 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.554 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m170 -120.87 92.58 48.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 133.29 25.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.13 13.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.63 -44.9 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -57.29 -41.74 80.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.2 m -68.3 143.25 55.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -85.39 123.98 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.94 130.65 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.4 mm-40 -84.79 168.93 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -54.11 106.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.85 17.63 9.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' GLU . 9.5 ttm180 -155.61 166.22 34.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 58' ' ' ILE . 13.2 p -143.66 143.07 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.439 ' N ' HG22 ' A' ' 57' ' ' VAL . 11.0 mt -89.72 143.62 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.65 161.31 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 t -84.23 149.71 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -81.38 -54.93 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.93 -49.5 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 p -40.9 -43.79 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -46.66 -41.95 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -68.72 -30.3 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.95 -14.35 21.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -130.49 107.2 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.13 151.24 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -110.41 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' SER . 19.5 mtt-85 -34.95 116.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 2.3 tm-20 -60.06 -72.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' CYS . 26.2 t-20 -86.73 34.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.4 t -34.42 113.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -78.49 -1.75 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -99.4 137.44 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.1 tp -78.8 149.08 32.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.6 m170 -103.27 97.11 9.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.821 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.75 148.68 65.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.7 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.3 Cg_endo -69.79 170.26 17.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 m -60.55 -58.93 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.6 p-80 -44.38 -23.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.57 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 20.1 mt -96.21 -40.71 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' LEU . 6.0 ttmt -35.21 -57.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -45.07 -45.74 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -46.99 -46.19 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.6 mt -49.92 -45.76 51.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.46 -42.45 82.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.494 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 61.7 mt -63.95 -49.62 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 88' ' ' ILE . 7.7 p30 45.38 51.98 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.8 p -43.13 165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.5 -73.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 53.5 Cg_endo -69.78 2.78 3.23 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' PRO . 29.1 t -35.42 -61.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 49.0 m 64.87 47.22 2.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -120.11 83.1 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -129.15 86.41 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.77 -81.87 1.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -163.46 146.78 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -104.59 -56.85 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.33 174.38 23.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.27 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -116.63 134.4 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -61.15 173.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.01 -55.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -91.72 44.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -69.96 -41.68 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -103.03 25.02 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 mt -131.55 36.77 3.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -122.25 157.24 32.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -153.56 136.15 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -65.93 118.79 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG23 ' CA ' ' A' ' 56' ' ' ARG . 59.5 t -65.73 139.82 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 38.3 t -61.6 115.75 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -66.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 29' ' ' PHE . 21.6 mp0 -44.1 -59.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.4 t80 -36.07 -52.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -55.55 -53.77 52.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -63.92 -23.37 67.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.821 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.01 36.72 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.0 t -130.9 38.01 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -124.06 97.91 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 p -97.29 38.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -109.66 157.73 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -82.74 177.55 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.2 -31.73 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -94.95 0.62 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -101.45 -47.44 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 t -79.16 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 27.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.415 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 35.9 m-85 -139.54 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.05 139.15 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -119.88 92.8 47.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 134.87 28.91 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 179.15 3.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -45.96 72.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 p -58.9 -26.9 64.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' SG ' ' C ' ' A' ' 75' ' ' TYR . 20.3 m -91.11 121.06 32.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -60.46 143.68 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -118.63 124.08 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -82.21 168.64 17.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.11 106.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 23.38 22.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' CA ' HG23 ' A' ' 25' ' ' VAL . 16.4 ttp180 -155.41 168.18 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.5 p -155.29 137.79 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.47 131.3 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.76 150.35 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.49 146.87 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -81.4 -46.36 14.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 -50.08 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -40.71 -42.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.3 mt -45.61 -43.02 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 67' ' ' ARG . . . 113.94 -12.27 22.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HD2' ' C ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -131.12 105.66 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -100.32 150.0 23.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.7 t -112.67 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 56.1 mtt85 -34.42 112.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.28 -43.29 78.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' CYS . 2.7 m-20 -98.97 26.32 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ASN . 20.0 t -36.89 109.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -86.84 21.91 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 44.5 m-85 -127.32 136.37 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -75.57 152.79 37.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.405 ' N ' ' CD2' ' A' ' 77' ' ' HIS . 8.1 m170 -104.23 98.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.7 148.5 65.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.403 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.647 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.5 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -60.75 -63.03 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 53.3 p-80 -41.48 -29.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.524 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.5 mt -88.83 -39.74 13.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -40.15 -39.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -58.32 -51.61 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -42.65 -35.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.72 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 7.4 pt-20 -59.6 -34.25 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.41 ' N ' ' HG3' ' A' ' 87' ' ' GLU . 75.2 mt -53.25 -37.94 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -101.28 60.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -102.48 165.8 10.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 125.18 120.79 2.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.03 9.48 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 m -45.11 139.8 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.0 m -160.58 131.35 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -50.6 173.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m 38.43 43.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.99 -141.27 4.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -112.26 84.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -90.33 121.26 32.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.37 73.12 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -0.17 6.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 14' ' ' PRO . 30.7 m -35.83 106.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.12 123.96 11.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -92.51 148.49 22.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.35 71.39 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -28.06 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -96.67 22.52 8.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -131.3 43.12 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -107.24 159.68 16.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.1 mt -152.62 141.78 21.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 124.59 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.33 147.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 49.7 t -71.56 103.89 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -38.4 -55.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' PHE . 60.8 mt-30 -54.16 -56.78 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t80 -37.12 -54.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -46.73 -50.95 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.474 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mpt_? -71.07 -29.51 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.45 20.38 20.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 42.0 p -108.84 34.71 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 t -116.25 111.11 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -102.05 31.58 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -115.94 137.49 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p -70.88 -175.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.03 -33.6 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -79.35 -15.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.07 -54.53 2.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.08 133.98 51.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -80.33 14.2 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 19.7 m-85 -122.88 162.23 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.72 134.77 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -117.35 92.86 41.43 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.45 42.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.22 13.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.24 93.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.2 p -61.82 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -70.0 143.87 52.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -80.92 142.88 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.69 128.19 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -84.38 168.86 15.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -53.53 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.67 26.64 40.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -155.16 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.4 p -158.69 139.04 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -83.03 140.36 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.09 160.09 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -88.5 149.48 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -78.31 -57.63 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.45 -49.56 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -42.05 -40.08 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.15 -40.46 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.07 -30.17 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.17 -16.72 19.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -131.07 107.22 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -100.26 138.47 37.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -100.53 -38.81 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -38.9 118.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.52 -62.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' CYS . 42.5 t30 -100.07 40.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.2 t -33.92 132.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.58 ' HE2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.68 -0.85 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CE2' ' HE2' ' A' ' 74' ' ' LYS . 22.2 m-85 -113.81 139.12 49.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.2 tp -73.6 153.73 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.5 m170 -105.28 95.45 9.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.7 Cg_endo -69.8 150.51 68.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.711 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.8 Cg_endo -69.77 173.01 11.6 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.8 m -65.4 -52.36 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.711 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -49.96 -26.97 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.606 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 25.3 mt -93.88 -39.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -42.66 -44.64 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.7 m -53.47 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -49.0 -25.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.3 mt -75.47 -56.12 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.69 -28.42 69.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mt -58.95 -43.51 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -92.64 96.97 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 p -90.94 -45.4 8.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.72 -150.6 6.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.86 69.48 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 m -81.92 82.69 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.1 p -125.74 41.14 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.466 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 p -103.63 42.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -96.37 114.68 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.06 -57.98 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.0 m -50.41 141.48 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -64.54 119.41 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.41 168.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -38.87 7.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 16' ' ' ARG . 7.8 p -174.88 142.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' N ' HG22 ' A' ' 15' ' ' VAL . 82.6 mtt180 -119.26 84.77 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.59 155.63 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.6 p -114.88 41.25 2.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -84.47 -44.97 13.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.477 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 1.5 p-90 -69.15 -29.29 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 20.7 mt -89.49 76.96 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -138.96 145.88 40.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -142.66 135.56 28.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.02 114.69 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.64 134.26 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.3 t -54.94 135.49 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -67.04 -60.77 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -48.26 -41.82 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -55.31 -50.15 70.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -52.43 -55.1 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -64.76 -30.0 71.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.33 37.28 4.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -131.18 34.93 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.166 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.3 t -117.99 106.24 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -102.52 35.22 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -117.01 119.81 36.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -56.83 156.52 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.83 -27.36 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -81.11 -16.67 52.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.87 -56.46 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 138.21 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -83.98 32.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 22.2 m-85 -139.56 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.462 ' HB2' ' CD2' ' A' ' 76' ' ' LEU . . . -100.11 133.37 44.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -118.68 92.5 44.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 122.87 9.55 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 168.05 22.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -48.07 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.7 m -54.25 -41.51 68.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.68 125.0 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.28 147.63 50.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.64 132.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -86.32 167.11 15.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -52.17 107.09 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.58 20.65 18.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . 7.0 ttt85 -156.22 173.45 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 p -150.46 137.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.89 134.66 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.54 147.71 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.67 144.88 45.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -77.57 -53.14 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.54 -51.62 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLY . 13.7 p -40.33 -47.06 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -41.54 -42.42 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -70.91 -31.63 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.45 -11.16 23.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -131.0 104.67 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.3 t -100.19 156.38 17.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.6 t -120.88 -48.04 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.8 mmt180 -34.49 115.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.53 -70.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -86.77 35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.2 t -38.2 115.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -87.93 36.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -139.61 138.41 36.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.462 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 7.3 tp -75.74 151.83 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 16.4 m170 -107.95 96.41 17.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.72 148.26 64.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.1 Cg_endo -69.78 174.08 10.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.5 m -63.37 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 48.9 p-80 -40.63 -41.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 18.3 mt -75.61 -55.71 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' LEU . 30.2 mtpt -33.0 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' LEU . 86.3 m -50.82 -52.38 41.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -43.48 -48.88 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.0 mt -50.91 -50.44 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -51.6 -58.29 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.2 mt -44.06 -37.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.4 m120 57.41 48.18 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -103.5 90.06 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.14 -109.46 1.08 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.226 . . . . 0.0 112.332 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -90.52 118.53 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m -107.41 125.17 50.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.461 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 m -47.07 117.17 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 p -87.44 -5.53 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 137.26 2.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 m -96.59 162.33 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 m -108.46 42.71 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.36 64.58 0.49 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.0 t -126.05 91.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -108.82 -60.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -75.21 159.06 32.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.2 m -112.33 84.6 2.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -98.43 -46.21 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 19.8 p-90 -91.43 -22.79 20.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 32.9 mt -88.96 45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -118.04 154.39 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 74.3 mt -146.78 147.96 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.88 137.9 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 26' ' ' CYS . 91.5 t -86.49 135.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.423 ' N ' HG12 ' A' ' 25' ' ' VAL . 42.9 t -61.8 117.99 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -55.2 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -54.98 -42.96 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.527 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 46.4 t80 -53.7 -48.68 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.11 -50.39 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -71.08 -28.89 64.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.49 33.37 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.0 t -129.03 40.32 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.154 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.59 102.02 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 t -85.5 31.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -111.22 128.64 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 m -59.67 172.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.48 -30.57 66.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.62 3.2 42.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.63 -44.21 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.79 138.52 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -85.7 30.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -140.19 168.58 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 76' ' ' LEU . . . -100.16 130.57 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.527 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.7 m170 -116.51 92.53 37.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 131.34 21.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.76 9.02 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -64.16 -38.85 92.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -64.36 -39.24 93.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -72.2 143.68 48.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -81.72 123.8 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -96.94 128.12 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.6 165.38 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -57.7 106.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.66 24.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -157.11 174.24 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 58' ' ' ILE . 7.7 p -151.26 148.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.446 ' N ' HG22 ' A' ' 57' ' ' VAL . 45.7 mt -92.0 133.93 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.61 125.67 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.41 148.13 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.06 -54.22 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -57.03 -50.34 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 p -42.98 -33.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.79 -44.58 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.97 -28.81 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.42 -12.59 25.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -130.98 105.77 7.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.18 146.14 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ARG . 73.5 m -108.84 -42.16 4.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' SER . 10.7 mmp_? -34.22 116.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.27 -74.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' CYS . 31.1 m-20 -87.5 33.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ASN . 45.8 t -35.97 125.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 7.53 46.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -104.62 136.13 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 44' ' ' ALA . 16.6 tp -74.67 147.7 41.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -103.62 97.17 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.606 0.717 . . . . 0.0 110.866 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 149.22 66.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.694 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.5 Cg_endo -69.78 172.94 11.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.1 m -69.67 -43.43 72.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.3 p-80 -56.99 -26.09 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.606 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 24.9 mt -91.34 -40.88 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -39.89 -37.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.6 m -49.82 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.506 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 3.6 pt20 -40.75 -31.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.8 mt -82.38 -44.89 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -58.97 -44.09 91.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.7 mt -37.87 -59.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -106.37 125.88 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -133.95 163.05 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.82 -140.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.65 18.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -58.65 139.48 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' GLY . 93.2 p -164.51 170.61 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.496 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 t -59.38 -44.56 92.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.9 m 54.88 42.13 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.11 129.01 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.9 p -65.64 102.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.9 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.09 -110.31 0.71 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.63 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.65 138.51 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -98.19 86.97 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.05 128.6 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.45 ' CG2' HG23 ' A' ' 58' ' ' ILE . 13.1 m -123.53 48.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -91.61 -38.89 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -95.58 8.21 44.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.07 36.83 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -123.23 162.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 80.4 mt -154.21 144.36 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -74.59 112.51 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 85.5 t -64.67 131.82 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ARG . 44.1 t -52.26 104.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.8 ptt180 -34.9 -59.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' PHE . 3.2 mm100 -51.82 -59.93 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' GLN . 40.0 t80 -35.42 -55.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.69 -49.14 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -77.8 -26.11 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.09 29.32 8.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.1 p -113.34 32.76 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -119.06 110.73 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -99.2 35.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -119.29 149.6 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -82.71 -176.3 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -77.39 -32.57 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 39' ' ' GLU . 1.4 tm-20 -81.77 -14.0 56.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -100.48 -55.28 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.75 134.77 52.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -84.17 32.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -139.41 168.37 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.97 134.25 43.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -118.45 92.76 44.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 129.98 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.22 19.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.223 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -59.42 -40.53 87.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.8 m -61.83 -42.69 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.5 m -73.14 136.36 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.64 135.7 48.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -111.48 125.89 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -84.93 160.72 20.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -53.18 107.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.36 16.29 27.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -154.81 171.22 19.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 58' ' ' ILE . 13.2 p -147.72 144.95 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 ' N ' HG23 ' A' ' 57' ' ' VAL . 84.7 mt -93.03 125.54 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.85 152.33 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.86 152.42 33.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.47 -54.91 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.03 -49.91 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.461 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 33.1 p -39.97 -38.05 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.92 -44.76 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -66.15 -28.6 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.98 -15.7 21.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -130.49 110.44 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.09 150.07 22.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 34.9 m -106.03 -53.34 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 67.6 mtt-85 -35.12 122.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -95.06 39.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -38.68 115.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -86.91 35.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.426 ' CD1' HG21 ' A' ' 58' ' ' ILE . 65.4 m-85 -138.84 139.21 38.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 7.9 tp -76.58 154.02 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.461 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 17.4 m170 -109.69 98.67 34.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.76 148.59 65.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.269 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.604 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.8 Cg_endo -69.81 171.47 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.258 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m -60.26 -62.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.0 p-80 -42.39 -25.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.543 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 17.8 mt -93.41 -38.82 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -40.85 -44.56 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -52.62 -53.65 44.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -43.33 -49.96 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.39 -43.13 54.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -68.97 -45.62 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 93.2 mt -44.08 -41.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -81.32 44.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.4 p -106.72 -43.75 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 140.62 117.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -20.3 35.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -168.87 165.52 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.3 t -109.8 139.78 44.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.506 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 t -99.46 146.84 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -102.23 169.4 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.71 -137.13 8.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -62.27 150.42 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -149.13 157.67 43.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.13 134.02 3.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.44 9.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -110.54 164.48 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 27.87 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.59 100.2 12.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -124.34 65.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -101.49 -41.02 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.496 ' CH2' HD22 ' A' ' 21' ' ' LEU . 33.0 p-90 -88.13 -4.49 58.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.496 HD22 ' CH2' ' A' ' 20' ' ' TRP . 46.3 mt -107.95 32.71 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -109.22 151.52 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -146.41 142.5 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.64 127.4 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.13 136.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.85 104.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.5 mtm-85 -37.49 -55.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -51.65 -55.73 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -45.58 -51.96 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -70.92 -29.86 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.17 31.43 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.6 p -116.41 20.27 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -102.13 106.92 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 p -99.32 37.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -117.22 132.52 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -62.38 178.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -66.66 -41.12 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -87.75 0.35 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -100.15 -38.51 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.96 144.36 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 29.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 44.2 m-85 -138.88 169.9 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.27 132.05 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -118.88 92.66 45.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.15 19.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -57.17 -43.79 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 m -57.84 -41.71 82.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.0 134.96 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -68.6 135.99 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.9 t -110.32 130.41 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 166.92 14.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -55.73 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.64 18.38 10.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.9 ttm105 -155.53 172.18 18.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 58' ' ' ILE . 14.6 p -152.14 144.06 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 57' ' ' VAL . 5.5 mt -88.59 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.87 134.22 42.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.5 146.74 53.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.79 -56.79 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.39 -53.06 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 p -38.66 -38.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.12 -46.26 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.66 -30.37 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.65 -12.98 25.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 67' ' ' ARG . 17.1 mtm105 -130.92 104.99 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.22 153.64 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.3 p -108.61 -34.29 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -53.06 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -47.14 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' CYS . 16.0 p-10 -93.52 40.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 t -36.39 121.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -84.16 6.94 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.07 141.31 48.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.5 tp -73.61 147.33 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -105.75 100.33 26.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 149.18 66.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.672 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.2 Cg_endo -69.79 170.04 17.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -65.32 -45.73 83.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.2 p-80 -57.06 -21.24 29.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.567 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 23.3 mt -96.21 -47.62 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.3 ttpt -35.88 -38.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.4 m -48.85 -48.38 41.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -48.34 -46.19 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.09 -52.29 64.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -48.93 -52.63 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.8 mt -49.68 -58.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -81.81 69.96 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -122.82 89.73 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 165.44 179.33 39.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -173.16 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -122.85 126.35 47.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -37.85 126.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.067 -0.851 . . . . 0.0 112.426 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 m -98.19 90.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -80.01 -57.2 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.15 116.2 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -69.91 82.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -161.23 140.98 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.38 -155.03 26.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 174.94 8.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.8 119.15 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 160.59 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 18' ' ' THR . 6.5 m-20 -133.63 63.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.499 ' C ' ' O ' ' A' ' 17' ' ' ASP . 13.9 t 29.49 50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -85.1 -47.05 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.467 ' CH2' HD23 ' A' ' 21' ' ' LEU . 33.5 p-90 -68.03 -10.73 55.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.467 HD23 ' CH2' ' A' ' 20' ' ' TRP . 32.2 mt -99.03 40.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.89 133.91 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -116.22 157.27 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.08 138.02 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -85.84 143.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -70.27 108.07 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -54.05 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.86 -48.72 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.13 -54.25 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -47.87 -47.03 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.08 -32.71 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.43 37.41 3.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -134.11 39.17 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -116.67 93.63 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 m -87.49 38.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -117.18 133.77 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.419 ' N ' ' HB3' ' A' ' 40' ' ' GLU . 32.3 p -71.53 171.93 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.13 -40.24 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -89.64 1.93 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 37' ' ' SER . 48.0 tt0 -100.82 -41.52 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.35 146.85 23.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.511 ' HG3' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -90.01 17.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.511 ' CD1' ' HG3' ' A' ' 42' ' ' LYS . 29.8 m-85 -126.63 169.43 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.01 38.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -119.84 92.79 47.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 130.06 18.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -50.97 -37.73 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 m -64.0 -36.15 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.3 m -81.73 142.13 32.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -73.45 167.08 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -141.3 126.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' ARG . 65.5 mm-40 -81.93 169.07 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -53.05 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.39 17.45 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' GLU . 10.5 ttm105 -155.94 170.02 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 58' ' ' ILE . 9.6 p -144.73 147.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.457 ' N ' HG22 ' A' ' 57' ' ' VAL . 59.4 mt -91.06 141.64 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 148.1 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.79 147.28 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -76.57 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -55.94 -51.87 66.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.9 p -39.84 -27.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.5 mt -61.86 -45.91 91.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -64.74 -28.73 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.07 -15.75 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -130.9 109.09 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -100.11 153.65 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ARG . 33.2 m -108.82 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.3 mtp180 -36.27 126.09 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -69.2 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' CYS . 5.3 m120 -90.38 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.7 t -36.13 109.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -71.2 -15.07 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.83 134.25 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.6 tp -77.4 149.69 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 10.7 m170 -100.25 99.85 10.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.705 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.3 Cg_endo -69.74 149.56 67.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.559 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.9 Cg_endo -69.74 171.85 13.7 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' LEU . 5.6 m -60.25 -67.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.4 p-80 -37.3 -32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.495 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.9 mt -82.61 -49.87 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -43.15 -42.39 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.2 m -51.4 -48.79 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -46.84 -49.84 19.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.4 mt -49.15 -41.04 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.99 -47.49 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.419 ' O ' ' CG ' ' A' ' 89' ' ' ASN . 53.6 mt -67.6 -63.45 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 88' ' ' ILE . 1.9 p-10 45.71 42.7 8.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 m -78.47 145.65 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.25 166.7 10.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 137.5 35.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.386 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -50.42 -44.63 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -72.86 151.49 41.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.45 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -123.71 154.03 40.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -148.88 138.53 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.77 110.71 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.53 130.75 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 47.6 t -50.72 119.48 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.24 -54.47 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.73 -50.99 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -43.82 -52.04 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.33 -55.25 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -61.48 -28.51 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.53 36.64 5.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -131.09 35.8 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -116.76 93.13 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -84.35 29.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -115.69 128.25 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 p -63.89 -175.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -33.68 61.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.64 -9.33 58.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -100.45 -52.24 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -74.46 139.25 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -83.4 35.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 84.5 m-85 -139.98 170.25 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.01 126.53 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -114.58 92.42 28.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.53 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -69.04 -39.24 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 p -63.86 -43.23 96.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.5 130.06 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -70.81 125.01 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -98.72 132.17 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.79 163.59 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.71 106.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.59 17.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -156.0 166.32 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.7 p -145.24 142.01 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.1 mt -89.97 133.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.99 136.97 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.09 153.64 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -85.09 -60.56 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -42.08 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.4 p -45.87 -47.75 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -47.46 -34.97 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -72.65 -28.74 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.73 -15.69 26.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.61 105.99 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.91 152.18 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.9 t -115.58 -43.9 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 44.7 mtt-85 -36.33 110.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -59.37 -59.61 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' CYS . 33.9 p-10 -96.27 35.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.5 t -35.25 124.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -87.68 -21.08 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.36 142.57 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.8 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -81.78 153.71 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 5.5 m170 -103.75 98.83 13.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.282 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.897 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.2 Cg_endo -69.76 164.5 34.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -57.03 -57.57 11.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.597 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 33.3 p80 -46.18 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.897 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.0 mt -96.79 -38.0 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -43.11 -43.78 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.2 m -49.71 -53.02 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -40.75 -53.58 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' ILE . 40.9 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.899 0.381 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -138.98 151.54 46.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 57' ' ' VAL . 28.4 mt -152.61 141.94 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.57 125.49 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 95.4 t -81.2 129.22 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.13 121.75 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -56.07 -62.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -47.87 -45.05 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 37.2 t80 -48.14 -51.42 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -49.93 -58.48 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -67.64 -22.9 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.93 30.09 10.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 p -118.13 34.46 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.56 101.56 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -86.92 23.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -111.05 126.7 55.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -58.15 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.32 -32.27 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.43 -9.78 51.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -102.76 -56.19 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -55.49 139.3 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 43' ' ' PHE . 17.1 pttt -84.26 29.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CE1' ' HE2' ' A' ' 42' ' ' LYS . 69.0 m-85 -139.37 162.79 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.34 135.37 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 3.5 m-70 -118.25 91.74 41.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.77 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.75 143.37 50.66 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 178.85 4.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -68.71 -33.47 73.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.8 m -77.91 7.11 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 76' ' ' LEU . 2.0 t -100.33 142.02 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -87.17 109.13 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.65 128.58 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ARG . 11.6 mt-10 -89.72 169.23 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.84 106.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.97 22.0 18.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLU . 6.6 ttm180 -157.15 171.17 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 23' ' ' LEU . 9.6 p -142.59 140.93 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.1 mt -89.05 129.16 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.05 162.49 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 t -85.0 155.18 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -88.93 -56.57 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.5 -47.6 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.535 ' HB2' ' CD2' ' A' ' 77' ' ' HIS . 23.4 p -42.95 -37.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 83' ' ' LYS . 22.9 mt -53.35 -41.24 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -68.83 -28.19 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.22 -13.52 26.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -131.0 107.79 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 t -99.89 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.4 m -106.56 -56.69 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' SER . 47.3 mmt-85 -33.3 113.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.85 -71.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -83.25 37.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.58 111.95 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -85.09 33.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -129.78 132.17 46.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.77 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.2 tp -75.58 147.56 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 63' ' ' SER . 0.2 OUTLIER -104.28 96.91 10.62 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 110.83 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.73 152.13 69.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.841 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.83 172.07 13.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 m -66.87 -39.99 87.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 31.1 p80 -64.01 -20.53 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.841 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -96.31 -49.19 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD23 ' A' ' 64' ' ' LEU . 18.0 mtmt -43.46 -26.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.2 m -62.57 -41.75 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -53.87 -23.85 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 1.2 m -124.13 137.93 54.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -119.15 163.79 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.42 142.17 31.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.15 143.3 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ARG . 43.1 t -69.89 105.6 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tpp85 -35.93 -63.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' PHE . 23.6 mt-30 -47.42 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' GLN . 25.7 t80 -35.83 -48.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.63 -59.85 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -65.45 -24.71 67.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.29 30.58 7.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -113.37 29.54 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 t -120.21 128.54 53.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -122.37 27.11 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -109.44 141.08 42.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.0 t -80.9 162.49 23.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -26.14 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.68 -21.49 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -99.87 -59.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.39 133.52 52.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -83.96 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.409 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 90.4 m-85 -137.38 168.17 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.93 126.76 46.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 m-70 -111.52 92.58 16.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.609 0.719 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HA ' HD13 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 129.46 17.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.89 11.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -61.7 -45.67 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.2 p -58.86 -40.23 83.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.9 m -74.04 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -68.71 128.78 37.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' N ' ' OE1' ' A' ' 51' ' ' GLN . 60.1 t -100.23 132.25 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' ARG . 15.8 mt-10 -90.17 168.44 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -53.86 106.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.78 17.46 6.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' THR . 12.1 ttp180 -155.44 170.71 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -149.46 137.98 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.7 mt -84.07 137.04 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.88 155.76 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.0 t -82.74 145.92 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -73.13 -58.29 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -53.85 -52.91 58.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 57.0 p -39.46 -34.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.1 -46.02 65.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -29.95 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.84 -11.38 22.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -130.77 105.89 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -100.1 156.16 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ARG . 81.7 p -107.42 -56.0 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' SER . 54.3 mmt-85 -35.38 122.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.98 -74.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' CYS . 40.4 t30 -89.19 38.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -35.34 117.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -84.14 36.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.91 140.8 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.808 HD13 ' HA ' ' A' ' 46' ' ' PRO . 18.5 tp -76.94 145.42 38.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.4 OUTLIER -105.35 97.83 14.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.805 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.4 Cg_endo -69.68 146.77 61.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.397 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.871 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.64 12.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' HIS . 5.8 m -59.29 -68.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 24.8 p80 -36.17 -39.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.871 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -76.91 -46.26 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' THR . 29.5 mtpt -41.94 -50.0 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.9 m -54.0 -35.03 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.79 -38.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 86' ' ' LEU . 47.8 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.937 0.399 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.56 153.12 34.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -136.19 146.3 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -75.5 118.24 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.48 140.32 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 43.2 t -67.8 107.9 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -39.16 -61.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 16.6 mp0 -49.97 -57.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 31.9 t80 -37.88 -54.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -48.78 -58.24 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -62.61 -28.46 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.63 20.62 21.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -106.57 28.68 7.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 t -117.87 106.75 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -101.57 30.81 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -108.32 126.78 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -58.25 -178.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.66 -31.2 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -85.24 -5.27 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -104.87 -51.45 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -74.25 135.54 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 28.5 pttt -85.57 34.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 92.3 m-85 -139.91 167.4 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.12 129.66 46.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 3.1 m-70 -115.87 92.53 34.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.788 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.82 135.09 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 175.08 8.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -64.0 -50.24 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -51.33 -34.88 35.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.3 m -84.16 133.75 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.72 150.07 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.1 t -122.71 129.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.14 165.74 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -52.39 106.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.91 23.29 22.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -156.17 174.05 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 46' ' ' PRO . 12.6 p -157.15 148.66 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -89.52 133.18 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.93 130.69 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -59.39 146.36 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 5.4 t80 -84.21 -54.68 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.33 -48.62 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 49.0 p -43.95 -36.05 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.15 -42.79 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.59 -10.39 32.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -130.99 108.73 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.43 152.73 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.8 m -112.56 -54.79 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' SER . 15.1 mtp180 -33.24 116.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.46 -72.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' CYS . 24.0 m-80 -87.09 33.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ASN . 38.8 t -34.22 111.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -88.65 33.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -131.38 133.48 45.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.788 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.4 tp -73.77 151.47 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' H ' HD12 ' A' ' 76' ' ' LEU . 21.4 m170 -107.8 97.38 20.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.8 Cg_endo -69.76 147.73 63.55 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.839 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.81 172.01 13.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.3 m -58.1 -65.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.564 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 18.9 p80 -40.57 -29.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.839 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.3 mt -89.26 -35.52 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' THR . 4.4 mtmp? -47.06 -28.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.0 m -63.19 -56.98 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -39.85 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 21' ' ' LEU . 60.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.53 152.72 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.2 mt -145.46 140.87 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.32 114.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' CG1' ' A' ' 57' ' ' VAL . 46.4 t -65.59 141.75 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 44.9 t -57.41 109.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.88 -36.67 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.667 ' NE2' HG23 ' A' ' 33' ' ' THR . 10.7 mm100 -70.83 -54.76 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 38.1 t80 -41.42 -55.37 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.51 -52.7 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -68.71 -25.09 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.74 37.82 8.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.667 HG23 ' NE2' ' A' ' 28' ' ' GLN . 7.4 t -129.28 30.18 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.2 t -106.55 114.02 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 m -95.88 29.98 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -118.04 146.13 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.1 m -78.89 -176.51 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -34.61 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 6.8 tm-20 -83.44 -11.15 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -53.37 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.73 149.5 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' O ' HD21 ' A' ' 82' ' ' LEU . 13.0 mmmt -82.74 -1.29 51.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 26' ' ' CYS . 5.1 m-85 -120.79 167.39 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.001 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.82 146.44 26.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.5 m-70 -124.49 92.74 47.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.82 133.16 24.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.07 61.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -44.21 -47.76 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.8 p -56.1 -36.61 68.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 m -78.04 134.43 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -74.85 151.42 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.0 t -134.04 131.94 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.71 168.39 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -51.98 108.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.57 22.88 26.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -157.08 172.75 18.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' HG22 ' A' ' 25' ' ' VAL . 9.1 p -153.24 143.28 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.7 mt -86.95 136.87 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.05 153.44 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.91 155.14 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -85.51 -56.69 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -56.87 -51.17 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 66' ' ' GLY . 15.0 p -39.02 -45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -44.05 -44.35 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.47 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 112.59 -12.75 25.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.86 104.89 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.48 152.12 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 25.4 m -109.99 -51.36 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 22.8 mmt180 -35.62 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -46.8 -65.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' CYS . 18.3 p30 -92.96 36.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 18.0 t -35.05 130.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -90.92 -13.74 32.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.11 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.001 HD21 ' HB1' ' A' ' 44' ' ' ALA . 13.3 tp -75.36 148.18 39.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.472 ' H ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -102.63 96.8 7.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.73 146.92 61.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.853 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.76 172.19 13.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 83' ' ' LYS . 28.1 m -58.27 -70.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.617 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 22.7 p80 -35.87 -39.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.9 mt -75.95 -43.26 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.1 ttpp -38.14 -54.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 m -39.03 -46.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -48.86 -48.12 42.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 86' ' ' LEU . 27.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.652 HG21 ' HE ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -134.32 155.95 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -146.19 142.35 28.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -65.69 116.1 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.05 128.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 53.5 t -48.19 110.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -43.34 -58.51 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.74 -53.87 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -42.44 -52.23 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -48.29 -49.64 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -74.45 -25.63 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.3 21.37 25.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -112.28 39.24 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.129 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -118.66 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -98.82 30.9 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -115.36 140.16 49.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -75.2 -177.96 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.87 -32.23 51.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -77.11 -18.99 57.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -101.01 -55.8 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.44 132.02 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -83.8 32.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LYS . 2.9 m-85 -137.75 163.13 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.09 135.05 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.23 92.32 42.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.706 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.72 122.05 8.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.02 7.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.86 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -55.72 -37.38 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.22 137.36 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.75 156.39 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -132.3 123.39 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -88.06 165.23 15.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -53.86 106.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.87 21.03 15.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 22' ' ' THR . 10.3 ttp180 -155.34 167.88 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.9 p -151.88 139.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.5 mt -84.79 133.4 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.89 131.09 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.057 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.41 139.48 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.61 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.93 -51.01 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 p -40.29 -46.72 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -46.65 -40.97 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -67.57 -29.74 69.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.25 -15.04 25.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -130.82 107.36 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.25 153.03 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 41.2 t -114.03 -53.07 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.7 mtp180 -34.7 109.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -90.82 41.4 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.1 t -42.64 116.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -87.54 37.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -141.05 137.6 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.6 tp -76.79 151.06 36.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -106.53 95.34 11.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.252 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.4 Cg_endo -69.69 172.31 12.81 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.409 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.5 m -51.18 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.616 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 16.5 p80 -39.83 -49.29 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.828 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.1 mt -67.08 -29.8 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' THR . 7.5 ttpp -70.79 -42.4 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -59.62 -37.8 79.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -61.39 -21.81 64.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 21' ' ' LEU . 55.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -116.55 156.24 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 34.3 mt -147.42 148.21 31.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.83 124.61 27.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 135.25 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.5 t -45.11 121.38 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -48.61 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -51.0 -56.33 12.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -39.81 -55.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -45.13 -46.16 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -75.9 -32.08 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.3 6.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -123.59 37.1 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -120.85 109.54 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.8 m -99.78 33.11 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -117.58 135.18 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -68.35 179.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.77 -29.51 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.96 -15.61 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.25 -55.22 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.4 143.44 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HE2' ' CE2' ' A' ' 43' ' ' PHE . 22.8 pttt -84.11 27.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CE2' ' HE2' ' A' ' 42' ' ' LYS . 89.1 m-85 -139.96 170.1 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 132.75 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -117.59 92.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.78 118.86 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.97 29.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -34.89 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -65.12 -27.87 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.9 m -90.8 140.01 30.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 121.6 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.0 t -99.8 131.62 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.1 tm-20 -88.87 168.66 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.16 108.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 17.66 8.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.4 ttt180 -157.1 164.79 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 46' ' ' PRO . 15.0 p -140.49 136.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.0 mt -83.92 127.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.5 155.04 27.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -81.76 158.24 24.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -83.95 -59.62 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.4 -49.76 69.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 60.8 p -39.03 -44.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.7 mt -44.96 -43.87 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -66.78 -30.22 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.87 21.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 107.62 9.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.0 t -100.25 144.33 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' ARG . 72.6 m -96.82 -55.57 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . 7.9 mtp85 -33.89 123.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.3 -65.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -91.76 36.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -43.39 114.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -84.28 34.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.22 142.69 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 44' ' ' ALA . 24.4 tp -80.63 145.89 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -107.1 101.28 37.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.7 Cg_endo -69.69 145.33 57.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.811 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.8 172.55 12.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.9 m -64.48 -46.06 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 28.9 p80 -57.24 -30.71 64.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.811 HD12 ' HD2' ' A' ' 79' ' ' PRO . 22.8 mt -86.17 -41.38 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' LEU . 37.9 mttt -35.32 -44.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -42.93 -59.02 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -41.93 -53.66 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.9 0.381 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -109.57 157.04 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.5 mt -148.57 143.77 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.2 132.89 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 57' ' ' VAL . 58.2 t -87.27 127.87 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.4 t -55.01 105.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -44.21 -53.71 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' PHE . 62.1 mt-30 -51.91 -56.87 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 17.6 t80 -38.36 -54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -45.74 -51.41 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -75.03 -23.59 58.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.25 31.59 10.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 p -117.91 31.99 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.116 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -106.53 99.52 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 t -85.04 26.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -108.04 129.42 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -55.02 175.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -75.23 -32.61 61.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -97.14 -0.32 47.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -100.3 -46.93 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.89 143.97 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -90.11 28.06 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -140.02 165.08 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.37 142.67 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 m-70 -119.94 92.61 46.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.2 Cg_endo -69.73 122.5 9.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.48 66.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -44.98 -45.38 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -55.85 -41.56 74.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -75.57 137.82 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.15 130.24 41.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.34 131.48 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.16 162.46 15.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -53.29 107.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.56 16.18 10.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.2 ttm105 -156.17 167.93 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.4 p -146.81 140.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.1 mt -86.31 133.73 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.39 159.07 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.9 t -87.29 148.8 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -77.21 -60.91 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -52.24 -49.27 64.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' GLY . 54.8 p -40.53 -46.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.64 -40.97 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -69.06 -30.22 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.06 -14.83 23.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.82 106.66 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.6 150.04 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -103.31 -58.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 24.2 mtp180 -35.16 114.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -64.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' CYS . 52.7 p-10 -87.26 29.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASN . 11.9 t -35.55 114.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 10.1 ptpp? -83.23 36.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 12.7 m-85 -136.88 147.3 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.9 tp -85.64 148.11 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' H ' HD12 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -107.17 99.31 26.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.582 0.706 . . . . 0.0 110.874 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.78 146.73 60.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.284 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.63 12.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.7 m -65.74 -51.24 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 30.3 p80 -50.46 -22.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.6 mt -95.68 -39.13 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -39.9 -43.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.3 m -48.67 -51.27 29.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -46.46 -50.22 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -117.15 162.83 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' HG12 ' A' ' 57' ' ' VAL . 32.0 mt -151.26 143.41 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.14 137.86 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.17 135.46 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 52.4 t -70.31 104.7 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -40.26 -61.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' PHE . 2.3 mp0 -46.58 -61.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 26.7 t80 -35.5 -50.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -49.89 -58.51 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -66.36 -23.44 66.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.96 23.15 18.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.3 p -108.03 29.86 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 t -113.26 95.63 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -87.66 35.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -118.5 143.53 46.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -75.25 -178.06 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.65 -36.26 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.94 -4.19 58.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -100.81 -49.67 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.4 t -78.29 138.15 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -83.53 33.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 41.9 m-85 -140.28 166.39 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.93 132.56 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 4.4 m-70 -120.16 92.5 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.745 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 139.79 41.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.85 26.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -56.57 -37.61 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -65.09 -41.21 95.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.5 m -71.54 132.01 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -77.78 134.86 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.92 138.86 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . 6.9 tm-20 -92.22 167.03 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -52.28 107.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.42 11.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' GLU . 19.4 ttm180 -156.02 163.87 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.9 p -139.98 146.79 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.9 mt -91.91 140.61 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.59 156.97 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.65 148.65 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -78.17 -54.14 6.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.97 -51.53 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.5 p -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.45 -45.31 91.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.92 -28.7 69.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.76 -14.61 22.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -130.86 106.92 8.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.11 153.42 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ARG . 6.6 t -112.42 -41.7 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.9 mmt-85 -38.17 100.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -48.87 -61.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' CYS . 1.1 m120 -99.61 41.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.4 t -34.1 134.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.6 ' HD3' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -97.8 0.16 46.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 21.7 m-30 -115.37 148.16 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -79.05 156.85 28.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 20.2 m170 -108.02 95.52 15.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.78 146.46 60.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.842 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.77 172.32 12.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 m -65.71 -50.22 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 25.8 p80 -52.26 -21.55 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.4 mt -95.47 -49.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 4.9 ttpp -34.16 -47.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.1 m -42.86 -51.07 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -44.63 -45.1 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.853 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 p -112.69 148.29 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 86' ' ' LEU . 25.4 mt -144.24 141.09 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.39 124.69 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.2 t -76.15 140.86 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 52.8 t -61.94 104.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 21.4 ttp-105 -36.84 -56.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 51.3 mm-40 -52.98 -58.15 7.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 44.7 t80 -38.04 -55.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -43.22 -49.56 6.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -72.37 -33.18 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.11 38.7 3.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -132.48 37.5 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -112.3 116.65 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -94.75 35.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -119.88 137.52 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -69.65 -178.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -74.67 -33.05 62.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -100.64 2.9 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.41 -48.32 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.24 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -7.97 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.48 167.64 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.24 140.92 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 2.8 m-70 -117.9 92.67 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.713 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.74 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 177.42 5.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.49 -53.6 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -51.16 -43.44 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -73.11 132.72 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.32 152.6 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -137.98 125.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' ARG . 14.7 tp10 -86.39 168.92 13.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.18 107.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.13 20.67 15.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' GLU . 28.7 ttm-85 -153.77 167.06 30.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 46' ' ' PRO . 10.9 p -149.64 144.7 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.4 129.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' HG3' ' A' ' 78' ' ' PRO . . . -77.26 145.47 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.59 148.15 48.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -75.28 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -49.51 -48.49 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 p -44.28 -35.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.1 mt -54.81 -44.0 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -68.6 -26.01 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.27 -12.53 33.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -130.44 105.67 8.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.6 t -100.03 151.42 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 1.7 t -117.01 -48.47 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.3 mtp180 -35.13 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.85 -68.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -86.09 37.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.6 t -40.81 110.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.08 34.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -137.78 143.52 41.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.83 HD21 ' HB1' ' A' ' 44' ' ' ALA . 7.5 tp -84.02 150.33 25.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -104.72 98.26 14.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.565 0.698 . . . . 0.0 110.851 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.3 Cg_endo -69.81 150.53 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.85 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.78 172.3 12.91 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -64.74 -55.67 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 23.0 p80 -47.71 -20.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.85 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.8 mt -96.95 -57.6 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LEU . 36.7 mtmt -33.83 -33.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' LEU . 33.4 m -52.5 -57.02 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.492 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 4.1 pt20 -45.65 -33.62 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 23' ' ' LEU . 25.1 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 p -109.52 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' HD21 ' A' ' 86' ' ' LEU . 60.7 mt -151.56 155.49 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.27 139.91 39.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.83 128.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 42.8 t -52.21 114.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.19 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.481 ' OE1' ' CG2' ' A' ' 33' ' ' THR . 13.0 mm-40 -57.59 -50.99 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 42.7 t80 -43.05 -55.12 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.34 -43.67 16.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -76.51 -31.82 57.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 29.56 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 10.0 t -124.6 39.67 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.98 97.77 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -89.32 37.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -119.77 129.44 54.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -63.53 -176.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.47 -35.22 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.57 -10.81 59.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -51.89 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.95 131.82 42.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -82.05 19.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 27.5 m-85 -123.73 159.12 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.907 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -95.76 130.8 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.7 m-70 -116.73 92.66 38.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.6 Cg_endo -69.79 124.36 10.99 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 176.48 6.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -57.0 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 m -51.42 -44.05 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -72.14 134.82 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -75.91 151.26 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -120.58 130.89 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.93 168.3 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -54.75 106.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.22 19.17 11.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -157.02 173.37 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.484 HG21 ' HB3' ' A' ' 46' ' ' PRO . 4.8 p -148.48 138.68 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.8 mt -87.58 135.06 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 157.44 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 137.54 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -71.04 -40.22 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.56 -52.3 33.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -41.35 -32.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 96.3 mt -56.13 -43.83 78.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -28.59 67.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.35 -11.91 26.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -131.11 106.94 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.31 155.98 17.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 70' ' ' ARG . 45.8 t -118.59 -52.44 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' SER . 21.5 mmt180 -33.58 111.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -69.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' CYS . 4.5 m120 -85.12 33.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -36.47 114.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -89.38 29.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -129.96 136.25 49.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.907 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.7 tp -73.47 149.57 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -105.51 95.59 10.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.815 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.76 145.88 58.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.668 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.8 172.47 12.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -68.38 -42.37 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.668 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 30.4 p80 -59.68 -22.98 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' CE1' ' A' ' 81' ' ' HIS . 15.7 mt -97.14 -41.17 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 31.2 mtpt -42.36 -46.25 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.3 m -42.12 -54.66 3.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -43.53 -47.65 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HG ' ' A' ' 23' ' ' LEU . 87.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 58' ' ' ILE . 30.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.379 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -139.18 147.78 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.2 140.14 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.25 116.96 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.69 126.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t -53.61 113.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -47.95 -59.84 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 33' ' ' THR . 20.4 mt-30 -48.55 -53.56 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.8 -54.08 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.59 -54.2 19.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -66.98 -24.6 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.54 37.17 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 28' ' ' GLN . 9.7 t -133.24 37.98 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -109.01 99.94 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 t -85.49 24.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -105.05 119.01 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -56.29 167.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.83 -27.47 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.01 -4.04 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -105.65 -54.73 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.31 137.19 58.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -85.97 27.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -133.4 167.0 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.65 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.79 136.26 39.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 4.3 m-70 -120.37 92.54 47.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.813 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.735 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.69 128.15 15.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.67 52.55 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.735 2.29 . . . . 0.0 112.301 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -43.85 -55.73 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -50.93 -40.34 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 m -70.62 147.07 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.61 158.22 24.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' A' ' 57' ' ' VAL . 88.0 t -139.71 134.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' ARG . 19.8 tt0 -94.54 168.79 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -52.91 106.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.95 20.83 15.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 ttm-85 -157.14 163.86 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 52' ' ' VAL . 4.7 p -146.22 145.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' LEU . 75.3 mt -93.31 143.04 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.03 155.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.7 153.03 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' HE3' ' A' ' 65' ' ' LYS . 38.6 t80 -82.16 -58.27 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.97 -50.43 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -39.02 -45.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -45.4 -43.95 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.49 -30.2 70.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.0 -12.5 24.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -130.02 105.03 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.85 145.52 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.6 m -98.05 -56.67 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.1 mtt180 -34.96 112.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -55.78 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -96.82 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' ASN . 22.9 t -34.82 129.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 8.64 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -115.56 141.41 48.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.9 tp -78.04 147.55 34.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 95.79 8.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.53 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.78 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.71 172.42 12.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -67.39 -49.62 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 28.1 p80 -52.06 -21.36 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.78 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.3 mt -96.94 -39.83 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -39.61 -35.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.7 m -51.1 -54.08 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -42.26 -45.1 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.372 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 p -118.8 163.25 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -153.18 146.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -68.82 125.6 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -79.72 135.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -65.32 103.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.82 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 57.9 mt-30 -70.21 -46.43 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 20.8 t80 -50.44 -40.6 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -55.21 -54.75 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 3.0 mpt_? -61.51 -32.91 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 23.09 15.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 t -125.93 40.02 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.356 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.13 102.8 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 m -83.95 33.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -118.33 113.79 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -55.92 -176.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.55 -35.34 53.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -87.25 -7.67 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.59 -53.19 3.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 132.92 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -83.88 28.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.72 166.33 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 140.85 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.9 m-70 -120.87 92.58 48.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.721 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 133.29 25.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.13 13.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.63 -44.9 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -57.29 -41.74 80.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.2 m -68.3 143.25 55.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -85.39 123.98 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.94 130.65 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.4 mm-40 -84.79 168.93 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.11 106.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.85 17.63 9.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' GLU . 9.5 ttm180 -155.61 166.22 34.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -143.66 143.07 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -89.72 143.62 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.65 161.31 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 t -84.23 149.71 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -81.38 -54.93 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.93 -49.5 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 p -40.9 -43.79 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -46.66 -41.95 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -68.72 -30.3 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.95 -14.35 21.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -130.49 107.2 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.13 151.24 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -110.41 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' SER . 19.5 mtt-85 -34.95 116.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 2.3 tm-20 -60.06 -72.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' CYS . 26.2 t-20 -86.73 34.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.4 t -34.42 113.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -78.49 -1.75 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -99.4 137.44 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.879 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.1 tp -78.8 149.08 32.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -103.27 97.11 9.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.75 148.68 65.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.814 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.3 Cg_endo -69.79 170.26 17.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 m -60.55 -58.93 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 27.9 p80 -44.38 -23.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.814 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -96.21 -40.71 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' LEU . 6.0 ttmt -35.21 -57.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -45.07 -45.74 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -46.99 -46.19 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -122.25 157.24 32.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -153.56 136.15 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -65.93 118.79 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' CA ' ' A' ' 56' ' ' ARG . 59.5 t -65.73 139.82 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 38.3 t -61.6 115.75 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -66.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.558 ' HG3' HG23 ' A' ' 33' ' ' THR . 21.6 mp0 -44.1 -59.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.4 t80 -36.07 -52.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -55.55 -53.77 52.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -63.92 -23.37 67.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.821 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.01 36.72 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 28' ' ' GLN . 6.0 t -130.9 38.01 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -124.06 97.91 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 p -97.29 38.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -109.66 157.73 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -82.74 177.55 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.2 -31.73 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -94.95 0.62 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -101.45 -47.44 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 t -79.16 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 27.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.414 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 35.9 m-85 -139.54 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.05 139.15 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 3.2 m-70 -119.88 92.8 47.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.841 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.81 134.87 28.91 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 179.15 3.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -45.96 72.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 p -58.9 -26.9 64.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' SG ' ' C ' ' A' ' 75' ' ' TYR . 20.3 m -91.11 121.06 32.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -60.46 143.68 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -118.63 124.08 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -82.21 168.64 17.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.11 106.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 23.38 22.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' CA ' HG23 ' A' ' 25' ' ' VAL . 16.4 ttp180 -155.41 168.18 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.5 p -155.29 137.79 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.47 131.3 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.76 150.35 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.49 146.87 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -81.4 -46.36 14.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 -50.08 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -40.71 -42.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.3 mt -45.61 -43.02 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 67' ' ' ARG . . . 113.94 -12.27 22.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -131.12 105.66 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -100.32 150.0 23.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.7 t -112.67 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 56.1 mtt85 -34.42 112.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.28 -43.29 78.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' CYS . 2.7 m-20 -98.97 26.32 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ASN . 20.0 t -36.89 109.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -86.84 21.91 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 44.5 m-85 -127.32 136.37 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.841 HD13 ' HA ' ' A' ' 46' ' ' PRO . 10.4 tp -75.57 152.79 37.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.1 m170 -104.23 98.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.7 148.5 65.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.403 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -60.75 -63.03 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.623 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 22.7 p80 -41.48 -29.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.5 mt -88.83 -39.74 13.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -40.15 -39.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -58.32 -51.61 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -42.65 -35.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -107.24 159.68 16.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.1 mt -152.62 141.78 21.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 124.59 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.33 147.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 49.7 t -71.56 103.89 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -38.4 -55.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' PHE . 60.8 mt-30 -54.16 -56.78 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t80 -37.12 -54.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -46.73 -50.95 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 2.2 mpt_? -71.07 -29.51 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.45 20.38 20.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 42.0 p -108.84 34.71 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 t -116.25 111.11 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -102.05 31.58 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -115.94 137.49 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p -70.88 -175.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.03 -33.6 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -79.35 -15.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.07 -54.53 2.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.08 133.98 51.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -80.33 14.2 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 19.7 m-85 -122.88 162.23 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.787 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.72 134.77 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -117.35 92.86 41.43 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.796 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.8 Cg_endo -69.76 140.45 42.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.22 13.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.24 93.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.2 p -61.82 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -70.0 143.87 52.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -80.92 142.88 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.69 128.19 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -84.38 168.86 15.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -53.53 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.67 26.64 40.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -155.16 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.4 p -158.69 139.04 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -83.03 140.36 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.09 160.09 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -88.5 149.48 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -78.31 -57.63 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.45 -49.56 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -42.05 -40.08 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.15 -40.46 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.07 -30.17 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.17 -16.72 19.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -131.07 107.22 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -100.26 138.47 37.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -100.53 -38.81 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -38.9 118.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.52 -62.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' CYS . 42.5 t30 -100.07 40.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.2 t -33.92 132.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.585 ' HE2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.68 -0.85 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.585 ' CE2' ' HE2' ' A' ' 74' ' ' LYS . 22.2 m-85 -113.81 139.12 49.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.787 HD21 ' HB1' ' A' ' 44' ' ' ALA . 9.2 tp -73.6 153.73 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -105.28 95.45 9.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.831 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.7 Cg_endo -69.8 150.51 68.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.675 ' CG ' HD12 ' A' ' 82' ' ' LEU . 53.8 Cg_endo -69.77 173.01 11.6 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.8 m -65.4 -52.36 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.621 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 26.1 p80 -49.96 -26.97 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.675 HD12 ' CG ' ' A' ' 79' ' ' PRO . 25.3 mt -93.88 -39.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -42.66 -44.64 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.7 m -53.47 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -49.0 -25.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -138.96 145.88 40.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -142.66 135.56 28.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.02 114.69 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.64 134.26 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.3 t -54.94 135.49 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -67.04 -60.77 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -48.26 -41.82 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -55.31 -50.15 70.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -52.43 -55.1 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -64.76 -30.0 71.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.33 37.28 4.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -131.18 34.93 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.166 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.3 t -117.99 106.24 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -102.52 35.22 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -117.01 119.81 36.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -56.83 156.52 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.83 -27.36 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -81.11 -16.67 52.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.87 -56.46 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 138.21 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -83.98 32.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 22.2 m-85 -139.56 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.11 133.37 44.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 m-70 -118.68 92.5 44.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.0 Cg_endo -69.72 122.87 9.55 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 168.05 22.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -48.07 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.7 m -54.25 -41.51 68.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.68 125.0 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.28 147.63 50.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.64 132.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -86.32 167.11 15.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -52.17 107.09 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.58 20.65 18.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . 7.0 ttt85 -156.22 173.45 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 46' ' ' PRO . 11.2 p -150.46 137.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.89 134.66 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.54 147.71 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.67 144.88 45.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -77.57 -53.14 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.54 -51.62 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLY . 13.7 p -40.33 -47.06 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -41.54 -42.42 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -70.91 -31.63 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.45 -11.16 23.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -131.0 104.67 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.3 t -100.19 156.38 17.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.6 t -120.88 -48.04 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.8 mmt180 -34.49 115.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.53 -70.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -86.77 35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.2 t -38.2 115.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -87.93 36.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -139.61 138.41 36.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.3 tp -75.74 151.83 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -107.95 96.41 17.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.72 148.26 64.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.673 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.1 Cg_endo -69.78 174.08 10.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.5 m -63.37 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.629 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 22.6 p80 -40.63 -41.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.3 mt -75.61 -55.71 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' LEU . 30.2 mtpt -33.0 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' LEU . 86.3 m -50.82 -52.38 41.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -43.48 -48.88 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -118.04 154.39 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 74.3 mt -146.78 147.96 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.88 137.9 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.49 135.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.8 117.99 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -55.2 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.481 ' CD ' HG23 ' A' ' 33' ' ' THR . 31.2 mm-40 -54.98 -42.96 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 46.4 t80 -53.7 -48.68 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.11 -50.39 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -71.08 -28.89 64.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.49 33.37 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' CD ' ' A' ' 28' ' ' GLN . 10.0 t -129.03 40.32 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.59 102.02 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 t -85.5 31.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -111.22 128.64 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 m -59.67 172.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.48 -30.57 66.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.62 3.2 42.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.63 -44.21 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.79 138.52 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -85.7 30.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -140.19 168.58 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.16 130.57 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.7 m170 -116.51 92.53 37.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.78 131.34 21.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.76 9.02 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -64.16 -38.85 92.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -64.36 -39.24 93.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -72.2 143.68 48.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -81.72 123.8 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -96.94 128.12 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.6 165.38 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -57.7 106.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.66 24.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -157.11 174.24 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -151.26 148.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.7 mt -92.0 133.93 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -87.61 125.67 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.41 148.13 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.06 -54.22 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -57.03 -50.34 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 p -42.98 -33.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.79 -44.58 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.97 -28.81 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.42 -12.59 25.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -130.98 105.77 7.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.18 146.14 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ARG . 73.5 m -108.84 -42.16 4.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' SER . 10.7 mmp_? -34.22 116.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.27 -74.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' CYS . 31.1 m-20 -87.5 33.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ASN . 45.8 t -35.97 125.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 7.53 46.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -104.62 136.13 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.675 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 16.6 tp -74.67 147.7 41.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -103.62 97.17 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.606 0.717 . . . . 0.0 110.866 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.519 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.79 149.22 66.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.78 172.94 11.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.471 HG23 ' NZ ' ' A' ' 83' ' ' LYS . 19.1 m -69.67 -43.43 72.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.655 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 31.4 p80 -56.99 -26.09 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.721 HD12 ' HD2' ' A' ' 79' ' ' PRO . 24.9 mt -91.34 -40.88 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' NZ ' HG23 ' A' ' 80' ' ' THR . 5.3 mtmp? -39.89 -37.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.6 m -49.82 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.506 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 3.6 pt20 -40.75 -31.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD11 ' A' ' 23' ' ' LEU . 27.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -123.23 162.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 80.4 mt -154.21 144.36 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -74.59 112.51 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 85.5 t -64.67 131.82 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ARG . 44.1 t -52.26 104.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.8 ptt180 -34.9 -59.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' PHE . 3.2 mm100 -51.82 -59.93 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' GLN . 40.0 t80 -35.42 -55.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.69 -49.14 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -77.8 -26.11 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.09 29.32 8.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.1 p -113.34 32.76 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -119.06 110.73 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -99.2 35.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -119.29 149.6 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -82.71 -176.3 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -77.39 -32.57 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 39' ' ' GLU . 1.4 tm-20 -81.77 -14.0 56.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -100.48 -55.28 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.75 134.77 52.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 11.0 ptmt -84.17 32.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 22.9 m-85 -139.41 168.37 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.97 134.25 43.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 m170 -118.45 92.76 44.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.82 129.98 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.22 19.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.223 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -59.42 -40.53 87.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.8 m -61.83 -42.69 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.5 m -73.14 136.36 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.64 135.7 48.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -111.48 125.89 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -84.93 160.72 20.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -53.18 107.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.36 16.29 27.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -154.81 171.22 19.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -147.72 144.95 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.7 mt -93.03 125.54 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.85 152.33 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.86 152.42 33.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.47 -54.91 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.03 -49.91 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 33.1 p -39.97 -38.05 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.92 -44.76 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' H ' ' CD ' ' A' ' 65' ' ' LYS . 8.2 mptt -66.15 -28.6 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.98 -15.7 21.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -130.49 110.44 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.09 150.07 22.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 34.9 m -106.03 -53.34 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 67.6 mtt-85 -35.12 122.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -95.06 39.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -38.68 115.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -86.91 35.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -138.84 139.21 38.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.9 tp -76.58 154.02 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.3 OUTLIER -109.69 98.67 34.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.76 148.59 65.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.269 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.799 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.8 Cg_endo -69.81 171.47 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.258 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m -60.26 -62.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.547 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 25.3 p80 -42.39 -25.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.799 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -93.41 -38.82 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -40.85 -44.56 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -52.62 -53.65 44.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.682 ' NE2' HD23 ' A' ' 82' ' ' LEU . 2.4 mp0 -43.33 -49.96 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -109.22 151.52 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -146.41 142.5 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.64 127.4 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.13 136.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.85 104.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.5 mtm-85 -37.49 -55.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -51.65 -55.73 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -45.58 -51.96 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -70.92 -29.86 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.17 31.43 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.6 p -116.41 20.27 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -102.13 106.92 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 p -99.32 37.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -117.22 132.52 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -62.38 178.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -66.66 -41.12 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -87.75 0.35 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -100.15 -38.51 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.96 144.36 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 29.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 44.2 m-85 -138.88 169.9 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.855 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -97.27 132.05 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -118.88 92.66 45.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.769 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.7 Cg_endo -69.77 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.15 19.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -57.17 -43.79 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 m -57.84 -41.71 82.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.0 134.96 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -68.6 135.99 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 46' ' ' PRO . 51.9 t -110.32 130.41 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 166.92 14.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -55.73 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.64 18.38 10.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.9 ttm105 -155.53 172.18 18.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.6 p -152.14 144.06 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.5 mt -88.59 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -98.87 134.22 42.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.5 146.74 53.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.79 -56.79 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.39 -53.06 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 p -38.66 -38.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.12 -46.26 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' NZ ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.66 -30.37 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.65 -12.98 25.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 17.1 mtm105 -130.92 104.99 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.22 153.64 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.3 p -108.61 -34.29 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -53.06 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -47.14 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' CYS . 16.0 p-10 -93.52 40.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 t -36.39 121.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -84.16 6.94 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.07 141.31 48.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.855 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.5 tp -73.61 147.33 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 19.2 m170 -105.75 100.33 26.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.77 149.18 66.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.836 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.79 170.04 17.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -65.32 -45.73 83.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.634 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 31.5 p80 -57.06 -21.24 29.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.836 HD12 ' HD2' ' A' ' 79' ' ' PRO . 23.3 mt -96.21 -47.62 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.3 ttpt -35.88 -38.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.4 m -48.85 -48.38 41.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -48.34 -46.19 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.89 133.91 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -116.22 157.27 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.08 138.02 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 56' ' ' ARG . 96.8 t -85.84 143.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -70.27 108.07 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -54.05 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -50.86 -48.72 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.13 -54.25 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -47.87 -47.03 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.08 -32.71 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.43 37.41 3.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -134.11 39.17 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -116.67 93.63 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 m -87.49 38.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -117.18 133.77 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.438 ' N ' ' HB3' ' A' ' 40' ' ' GLU . 32.3 p -71.53 171.93 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.13 -40.24 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -89.64 1.93 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HB3' ' N ' ' A' ' 37' ' ' SER . 48.0 tt0 -100.82 -41.52 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.35 146.85 23.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -90.01 17.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CD1' ' HG3' ' A' ' 42' ' ' LYS . 29.8 m-85 -126.63 169.43 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.05 136.01 38.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 3.3 m-70 -119.84 92.79 47.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.81 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.2 Cg_endo -69.78 130.06 18.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -50.97 -37.73 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 m -64.0 -36.15 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.3 m -81.73 142.13 32.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -73.45 167.08 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -141.3 126.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' ARG . 65.5 mm-40 -81.93 169.07 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -53.05 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.39 17.45 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' GLU . 10.5 ttm105 -155.94 170.02 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 46' ' ' PRO . 9.6 p -144.73 147.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -91.06 141.64 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 148.1 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.79 147.28 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -76.57 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -55.94 -51.87 66.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.9 p -39.84 -27.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.5 mt -61.86 -45.91 91.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -64.74 -28.73 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.07 -15.75 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -130.9 109.09 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -100.11 153.65 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ARG . 33.2 m -108.82 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.3 mtp180 -36.27 126.09 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -69.2 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' CYS . 5.3 m120 -90.38 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.7 t -36.13 109.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -71.2 -15.07 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.83 134.25 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.6 tp -77.4 149.69 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -100.25 99.85 10.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.705 . . . . 0.0 110.835 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.3 Cg_endo -69.74 149.56 67.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.74 171.85 13.7 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' LEU . 5.6 m -60.25 -67.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 24.2 p80 -37.3 -32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.9 mt -82.61 -49.87 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -43.15 -42.39 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.2 m -51.4 -48.79 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -46.84 -49.84 19.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.1 t -162.06 132.18 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -78.39 145.15 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.04 111.14 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -125.99 127.11 45.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 p -129.88 121.36 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.41 74.58 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.99 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.03 140.57 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -41.7 150.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -104.34 -56.06 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 p -88.31 80.67 7.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -93.85 -42.98 8.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.0 p-90 -99.17 28.64 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 mt -134.42 37.93 3.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -123.71 154.03 40.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -148.88 138.53 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.77 110.71 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.53 130.75 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 47.6 t -50.72 119.48 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.24 -54.47 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.73 -50.99 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -43.82 -52.04 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.33 -55.25 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -61.48 -28.51 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.53 36.64 5.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -131.09 35.8 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -116.76 93.13 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -84.35 29.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -115.69 128.25 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 p -63.89 -175.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -33.68 61.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.64 -9.33 58.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -100.45 -52.24 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -74.46 139.25 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -83.4 35.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 84.5 m-85 -139.98 170.25 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.01 126.53 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -114.58 92.42 28.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.53 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -69.04 -39.24 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 p -63.86 -43.23 96.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.5 130.06 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -70.81 125.01 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -98.72 132.17 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.79 163.59 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.71 106.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.59 17.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -156.0 166.32 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.7 p -145.24 142.01 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.1 mt -89.97 133.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.99 136.97 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.09 153.64 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -85.09 -60.56 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -42.08 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.4 p -45.87 -47.75 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -47.46 -34.97 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -72.65 -28.74 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.73 -15.69 26.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.61 105.99 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.91 152.18 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.9 t -115.58 -43.9 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 44.7 mtt-85 -36.33 110.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -59.37 -59.61 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' CYS . 33.9 p-10 -96.27 35.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.5 t -35.25 124.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -87.68 -21.08 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.36 142.57 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.8 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -81.78 153.71 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -103.75 98.83 13.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 0.0 110.921 179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.282 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.897 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.2 Cg_endo -69.76 164.5 34.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -57.03 -57.57 11.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.597 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 33.3 p80 -46.18 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.897 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.0 mt -96.79 -38.0 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -43.11 -43.78 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.2 m -49.71 -53.02 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 88' ' ' ILE . 10.9 mt-30 -40.75 -53.58 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.4 mt -47.38 -38.55 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -72.14 -47.98 46.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 85' ' ' GLN . 85.2 mt -41.57 -45.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' SER . 10.7 m-80 57.54 48.43 14.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' ASN . 31.2 t -36.26 122.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.81 85.15 0.34 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.15 69.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -83.26 123.84 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -98.19 41.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.453 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -117.74 81.58 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -152.48 127.63 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.45 -127.14 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -123.09 108.04 12.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -133.8 133.65 41.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.97 -95.62 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.01 133.48 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -94.33 141.74 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -157.97 116.39 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.792 HG23 HD12 ' A' ' 21' ' ' LEU . 11.6 m 57.43 41.68 25.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 22' ' ' THR . 38.2 tptt -85.29 -44.29 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.525 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 6.3 p-90 -49.54 -38.8 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD12 HG23 ' A' ' 18' ' ' THR . 40.9 mt -68.89 87.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 19' ' ' LYS . 17.0 p -138.98 151.54 46.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 57' ' ' VAL . 28.4 mt -152.61 141.94 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.57 125.49 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 95.4 t -81.2 129.22 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.13 121.75 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -56.07 -62.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -47.87 -45.05 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 37.2 t80 -48.14 -51.42 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -49.93 -58.48 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -67.64 -22.9 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.93 30.09 10.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 p -118.13 34.46 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.56 101.56 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -86.92 23.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -111.05 126.7 55.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -58.15 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.32 -32.27 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.43 -9.78 51.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -102.76 -56.19 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -55.49 139.3 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 43' ' ' PHE . 17.1 pttt -84.26 29.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CE1' ' HE2' ' A' ' 42' ' ' LYS . 69.0 m-85 -139.37 162.79 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.34 135.37 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 3.5 m-70 -118.25 91.74 41.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.77 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.75 143.37 50.66 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 178.85 4.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -68.71 -33.47 73.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.8 m -77.91 7.11 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 76' ' ' LEU . 2.0 t -100.33 142.02 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -87.17 109.13 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.65 128.58 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ARG . 11.6 mt-10 -89.72 169.23 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.84 106.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.97 22.0 18.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLU . 6.6 ttm180 -157.15 171.17 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 23' ' ' LEU . 9.6 p -142.59 140.93 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.1 mt -89.05 129.16 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.05 162.49 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 t -85.0 155.18 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -88.93 -56.57 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.5 -47.6 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.535 ' HB2' ' CD2' ' A' ' 77' ' ' HIS . 23.4 p -42.95 -37.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 83' ' ' LYS . 22.9 mt -53.35 -41.24 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -68.83 -28.19 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.22 -13.52 26.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -131.0 107.79 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 t -99.89 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.4 m -106.56 -56.69 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' SER . 47.3 mmt-85 -33.3 113.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.85 -71.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -83.25 37.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.58 111.95 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -85.09 33.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -129.78 132.17 46.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.77 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.2 tp -75.58 147.56 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.535 ' CD2' ' HB2' ' A' ' 63' ' ' SER . 0.2 OUTLIER -104.28 96.91 10.62 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 110.83 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.73 152.13 69.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.841 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.83 172.07 13.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 m -66.87 -39.99 87.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.613 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 31.1 p80 -64.01 -20.53 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.841 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -96.31 -49.19 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD23 ' A' ' 64' ' ' LEU . 18.0 mtmt -43.46 -26.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.2 m -62.57 -41.75 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 88' ' ' ILE . 31.2 mt-30 -53.87 -23.85 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt -75.86 -58.65 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 19.2 pt-20 -58.12 -35.44 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 85' ' ' GLN . 47.7 mt -50.46 -42.34 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -38.7 142.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.1 p -113.61 162.95 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.16 170.65 54.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t 49.18 42.31 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 110.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.465 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 m -47.47 131.41 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -76.88 98.36 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.75 -107.74 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 m -66.44 -59.91 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -86.51 145.98 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.7 137.92 7.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' PRO . 9.8 p -35.88 143.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' VAL . 19.3 ttm180 -37.13 142.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.18 158.04 34.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.4 p -117.27 43.55 2.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -48.4 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -76.19 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.4 36.4 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 1.2 m -124.13 137.93 54.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -119.15 163.79 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.42 142.17 31.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.15 143.3 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ARG . 43.1 t -69.89 105.6 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tpp85 -35.93 -63.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' PHE . 23.6 mt-30 -47.42 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' GLN . 25.7 t80 -35.83 -48.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.63 -59.85 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -65.45 -24.71 67.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.29 30.58 7.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -113.37 29.54 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 t -120.21 128.54 53.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -122.37 27.11 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -109.44 141.08 42.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.0 t -80.9 162.49 23.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -26.14 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.68 -21.49 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -99.87 -59.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.39 133.52 52.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -83.96 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.409 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 90.4 m-85 -137.38 168.17 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.93 126.76 46.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 2.5 m-70 -111.52 92.58 16.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.609 0.719 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HA ' HD13 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 129.46 17.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.89 11.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -61.7 -45.67 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.2 p -58.86 -40.23 83.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.9 m -74.04 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -68.71 128.78 37.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' N ' ' OE1' ' A' ' 51' ' ' GLN . 60.1 t -100.23 132.25 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' ARG . 15.8 mt-10 -90.17 168.44 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -53.86 106.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.78 17.46 6.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' THR . 12.1 ttp180 -155.44 170.71 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -149.46 137.98 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.7 mt -84.07 137.04 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.88 155.76 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.0 t -82.74 145.92 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -73.13 -58.29 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -53.85 -52.91 58.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 57.0 p -39.46 -34.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.1 -46.02 65.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -29.95 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.84 -11.38 22.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -130.77 105.89 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -100.1 156.16 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ARG . 81.7 p -107.42 -56.0 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' SER . 54.3 mmt-85 -35.38 122.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.98 -74.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' CYS . 40.4 t30 -89.19 38.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -35.34 117.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -84.14 36.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.91 140.8 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.808 HD13 ' HA ' ' A' ' 46' ' ' PRO . 18.5 tp -76.94 145.42 38.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 21.9 m170 -105.35 97.83 14.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.4 Cg_endo -69.68 146.77 61.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.397 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.871 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.64 12.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' HIS . 5.8 m -59.29 -68.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.57 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 24.8 p80 -36.17 -39.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.871 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -76.91 -46.26 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' THR . 29.5 mtpt -41.94 -50.0 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.9 m -54.0 -35.03 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.4 tt0 -57.79 -38.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.6 -40.3 75.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.48 -45.19 69.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 85' ' ' GLN . 78.3 mt -40.73 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' ILE . 2.2 p-10 -36.93 -44.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 89' ' ' ASN . 49.2 m -89.49 138.75 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.98 -168.03 23.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.08 64.1 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.5 m -57.88 151.59 17.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t 49.88 42.32 23.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.1 p -135.25 114.03 11.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -164.46 118.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.53 153.92 7.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 p -102.09 43.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -64.88 -53.32 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.81 141.01 16.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 124.23 10.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.7 137.08 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -128.88 87.95 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -53.76 151.19 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.942 HG21 HG23 ' A' ' 58' ' ' ILE . 37.3 m -83.17 74.87 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -100.82 -39.97 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.475 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 32.2 p-90 -84.94 -13.04 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.93 ' HB2' HG23 ' A' ' 18' ' ' THR . 47.8 mt -98.65 40.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.56 153.12 34.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -136.19 146.3 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -75.5 118.24 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.48 140.32 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 43.2 t -67.8 107.9 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -39.16 -61.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 16.6 mp0 -49.97 -57.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 31.9 t80 -37.88 -54.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -48.78 -58.24 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -62.61 -28.46 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.63 20.62 21.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -106.57 28.68 7.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 t -117.87 106.75 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -101.57 30.81 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -108.32 126.78 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -58.25 -178.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.66 -31.2 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -85.24 -5.27 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -104.87 -51.45 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -74.25 135.54 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 28.5 pttt -85.57 34.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 92.3 m-85 -139.91 167.4 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.12 129.66 46.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 3.1 m-70 -115.87 92.53 34.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.788 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.82 135.09 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 175.08 8.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -64.0 -50.24 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -51.33 -34.88 35.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.3 m -84.16 133.75 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.72 150.07 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.1 t -122.71 129.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.14 165.74 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -52.39 106.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.91 23.29 22.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -156.17 174.05 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 46' ' ' PRO . 12.6 p -157.15 148.66 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.942 HG23 HG21 ' A' ' 18' ' ' THR . 67.5 mt -89.52 133.18 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.93 130.69 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -59.39 146.36 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 5.4 t80 -84.21 -54.68 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.33 -48.62 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 49.0 p -43.95 -36.05 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.15 -42.79 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.59 -10.39 32.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -130.99 108.73 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.43 152.73 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.8 m -112.56 -54.79 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' SER . 15.1 mtp180 -33.24 116.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.46 -72.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' CYS . 24.0 m-80 -87.09 33.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ASN . 38.8 t -34.22 111.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -88.65 33.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -131.38 133.48 45.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.4 tp -73.77 151.47 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' H ' HD12 ' A' ' 76' ' ' LEU . 21.4 m170 -107.8 97.38 20.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.8 Cg_endo -69.76 147.73 63.55 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.839 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.81 172.01 13.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.3 m -58.1 -65.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.564 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 18.9 p80 -40.57 -29.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.839 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.3 mt -89.26 -35.52 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' THR . 4.4 mtmp? -47.06 -28.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.504 HG22 HD11 ' A' ' 88' ' ' ILE . 18.0 m -63.19 -56.98 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -39.85 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 21' ' ' LEU . 60.3 mt -58.89 -56.12 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -65.76 -24.16 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.504 HD11 HG22 ' A' ' 84' ' ' THR . 55.4 mt -72.11 -39.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -39.37 111.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -54.72 131.51 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.22 -97.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -21.03 33.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -170.67 130.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -123.95 42.02 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.445 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 54.39 41.71 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.885 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 m -123.17 160.54 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 107.3 1.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -152.89 163.34 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 p -169.32 157.62 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.92 -178.83 37.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -178.3 2.26 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.77 128.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 18' ' ' THR . 32.5 mtp85 -94.72 88.46 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.8 98.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 16' ' ' ARG . 73.2 p -102.68 38.17 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -63.04 -27.25 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.424 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 38.2 p-90 -106.74 -7.57 17.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 36.9 mt -103.04 44.54 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.53 152.72 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.2 mt -145.46 140.87 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.32 114.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' CG1' ' A' ' 57' ' ' VAL . 46.4 t -65.59 141.75 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 44.9 t -57.41 109.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.88 -36.67 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.667 ' NE2' HG23 ' A' ' 33' ' ' THR . 10.7 mm100 -70.83 -54.76 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 38.1 t80 -41.42 -55.37 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.51 -52.7 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.6 mtm180 -68.71 -25.09 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.74 37.82 8.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.667 HG23 ' NE2' ' A' ' 28' ' ' GLN . 7.4 t -129.28 30.18 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.2 t -106.55 114.02 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 m -95.88 29.98 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -118.04 146.13 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.1 m -78.89 -176.51 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -34.61 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' ' 39' ' ' GLU . 6.8 tm-20 -83.44 -11.15 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -53.37 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.73 149.5 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' O ' HD21 ' A' ' 82' ' ' LEU . 13.0 mmmt -82.74 -1.29 51.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 26' ' ' CYS . 5.1 m-85 -120.79 167.39 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.001 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.82 146.44 26.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.5 m-70 -124.49 92.74 47.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.82 133.16 24.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.07 61.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -44.21 -47.76 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.8 p -56.1 -36.61 68.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 m -78.04 134.43 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -74.85 151.42 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.0 t -134.04 131.94 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.71 168.39 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -51.98 108.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.57 22.88 26.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -157.08 172.75 18.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' HG22 ' A' ' 25' ' ' VAL . 9.1 p -153.24 143.28 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 HG21 HG21 ' A' ' 18' ' ' THR . 45.7 mt -86.95 136.87 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.05 153.44 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.91 155.14 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -85.51 -56.69 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -56.87 -51.17 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 66' ' ' GLY . 15.0 p -39.02 -45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -44.05 -44.35 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.47 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 112.59 -12.75 25.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.86 104.89 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.48 152.12 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 25.4 m -109.99 -51.36 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 22.8 mmt180 -35.62 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -46.8 -65.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' CYS . 18.3 p30 -92.96 36.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 18.0 t -35.05 130.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -90.92 -13.74 32.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.11 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.001 HD21 ' HB1' ' A' ' 44' ' ' ALA . 13.3 tp -75.36 148.18 39.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.472 ' H ' HD12 ' A' ' 76' ' ' LEU . 0.1 OUTLIER -102.63 96.8 7.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.73 146.92 61.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.853 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.76 172.19 13.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 83' ' ' LYS . 28.1 m -58.27 -70.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.617 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 22.7 p80 -35.87 -39.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.9 mt -75.95 -43.26 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.1 ttpp -38.14 -54.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 m -39.03 -46.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -48.86 -48.12 42.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.62 -42.55 45.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.48 -51.37 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ASN . 64.9 mt -38.39 -37.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' ILE . 25.3 t30 -35.63 -45.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 p -62.87 118.37 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.32 142.78 39.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.73 2.286 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 p -55.12 129.72 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t 42.01 41.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -65.22 128.84 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -79.13 104.46 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.75 133.59 4.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.5 m -44.46 137.66 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -91.91 41.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 179.98 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.11 8.52 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.09 148.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -86.78 44.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.6 39.61 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 HG21 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -109.15 50.2 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -95.26 -37.17 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -97.19 26.09 5.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 86' ' ' LEU . 27.3 mt -132.1 45.62 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.652 HG21 ' HE ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -134.32 155.95 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -146.19 142.35 28.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -65.69 116.1 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.05 128.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 53.5 t -48.19 110.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -43.34 -58.51 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.74 -53.87 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -42.44 -52.23 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -48.29 -49.64 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -74.45 -25.63 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.3 21.37 25.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -112.28 39.24 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.129 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -118.66 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -98.82 30.9 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -115.36 140.16 49.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -75.2 -177.96 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.87 -32.23 51.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -77.11 -18.99 57.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -101.01 -55.8 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.44 132.02 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -83.8 32.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LYS . 2.9 m-85 -137.75 163.13 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.09 135.05 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -118.23 92.32 42.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.706 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.72 122.05 8.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.02 7.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.86 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -55.72 -37.38 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.22 137.36 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.75 156.39 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -132.3 123.39 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -88.06 165.23 15.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -53.86 106.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.87 21.03 15.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 22' ' ' THR . 10.3 ttp180 -155.34 167.88 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.9 p -151.88 139.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 HG21 ' A' ' 18' ' ' THR . 43.5 mt -84.79 133.4 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.89 131.09 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.057 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.41 139.48 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.61 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.93 -51.01 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 p -40.29 -46.72 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -46.65 -40.97 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -67.57 -29.74 69.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.25 -15.04 25.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -130.82 107.36 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.25 153.03 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 41.2 t -114.03 -53.07 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.7 mtp180 -34.7 109.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -90.82 41.4 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.1 t -42.64 116.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -87.54 37.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -141.05 137.6 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.6 tp -76.79 151.06 36.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -106.53 95.34 11.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.882 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.252 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.4 Cg_endo -69.69 172.31 12.81 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.409 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.5 m -51.18 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.616 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 16.5 p80 -39.83 -49.29 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.828 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.1 mt -67.08 -29.8 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' THR . 7.5 ttpp -70.79 -42.4 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -59.62 -37.8 79.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.756 ' HA ' HD12 ' A' ' 88' ' ' ILE . 35.2 mt-30 -61.39 -21.81 64.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 21' ' ' LEU . 55.2 mt -79.95 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 12.3 pt-20 -48.62 -36.31 15.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 85' ' ' GLN . 61.7 mt -56.8 -40.04 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 63.37 46.58 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.0 p -106.02 127.49 53.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.1 154.74 22.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.93 58.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.68 153.37 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.3 t -136.52 113.43 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -81.49 -44.51 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m 52.58 49.54 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.95 132.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -88.09 86.89 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 110.907 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -154.99 118.14 4.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.67 78.49 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -12.3 32.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -136.38 134.27 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 33.7 ptt85 -124.38 -41.38 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 7.1 m-20 -65.91 130.89 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 22' ' ' THR . 22.8 p -81.62 53.68 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -29.61 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.504 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 30.6 p-90 -99.15 -18.4 17.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 34.0 mt -93.36 37.58 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 18' ' ' THR . 7.0 p -116.55 156.24 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 34.3 mt -147.42 148.21 31.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.83 124.61 27.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 135.25 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.5 t -45.11 121.38 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -48.61 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -51.0 -56.33 12.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -39.81 -55.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -45.13 -46.16 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -75.9 -32.08 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.3 6.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -123.59 37.1 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -120.85 109.54 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.8 m -99.78 33.11 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -117.58 135.18 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -68.35 179.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.77 -29.51 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.96 -15.61 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.25 -55.22 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.4 143.44 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HE2' ' CE2' ' A' ' 43' ' ' PHE . 22.8 pttt -84.11 27.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CE2' ' HE2' ' A' ' 42' ' ' LYS . 89.1 m-85 -139.96 170.1 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 132.75 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -117.59 92.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.78 118.86 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.97 29.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -34.89 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -65.12 -27.87 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.9 m -90.8 140.01 30.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 121.6 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.0 t -99.8 131.62 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.1 tm-20 -88.87 168.66 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.16 108.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 17.66 8.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.4 ttt180 -157.1 164.79 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 46' ' ' PRO . 15.0 p -140.49 136.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.0 mt -83.92 127.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.5 155.04 27.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -81.76 158.24 24.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -83.95 -59.62 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.4 -49.76 69.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 60.8 p -39.03 -44.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.7 mt -44.96 -43.87 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -66.78 -30.22 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.87 21.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 107.62 9.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.0 t -100.25 144.33 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' ARG . 72.6 m -96.82 -55.57 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . 7.9 mtp85 -33.89 123.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.3 -65.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -91.76 36.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -43.39 114.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -84.28 34.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.22 142.69 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 44' ' ' ALA . 24.4 tp -80.63 145.89 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.4 OUTLIER -107.1 101.28 37.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.872 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.7 Cg_endo -69.69 145.33 57.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.811 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.8 172.55 12.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.9 m -64.48 -46.06 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.611 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 28.9 p80 -57.24 -30.71 64.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.811 HD12 ' HD2' ' A' ' 79' ' ' PRO . 22.8 mt -86.17 -41.38 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' LEU . 37.9 mttt -35.32 -44.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -42.93 -59.02 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 88' ' ' ILE . 20.4 mp0 -41.93 -53.66 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt -51.02 -56.92 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.11 -56.03 14.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 85' ' ' GLN . 82.8 mt -40.76 -40.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 64.63 44.74 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -150.17 112.0 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.38 -151.25 27.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.51 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.258 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t 52.53 41.65 31.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -109.96 166.21 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.494 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -129.51 42.09 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -86.43 42.25 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.54 117.75 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -76.34 168.19 20.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.818 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m 58.26 41.7 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.38 69.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -33.55 16.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.29 100.8 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -94.97 -53.6 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 37.77 42.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p 46.5 46.32 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -87.22 -2.57 58.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -106.57 35.32 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -109.57 157.04 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.5 mt -148.57 143.77 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.2 132.89 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 57' ' ' VAL . 58.2 t -87.27 127.87 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.4 t -55.01 105.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -44.21 -53.71 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' PHE . 62.1 mt-30 -51.91 -56.87 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 17.6 t80 -38.36 -54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -45.74 -51.41 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -75.03 -23.59 58.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.25 31.59 10.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 p -117.91 31.99 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.116 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -106.53 99.52 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 t -85.04 26.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -108.04 129.42 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -55.02 175.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -75.23 -32.61 61.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -97.14 -0.32 47.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -100.3 -46.93 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.89 143.97 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -90.11 28.06 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -140.02 165.08 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.37 142.67 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 5.6 m-70 -119.94 92.61 46.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.2 Cg_endo -69.73 122.5 9.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.48 66.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -44.98 -45.38 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -55.85 -41.56 74.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -75.57 137.82 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.15 130.24 41.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.34 131.48 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.16 162.46 15.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -53.29 107.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.56 16.18 10.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.2 ttm105 -156.17 167.93 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.4 p -146.81 140.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.1 mt -86.31 133.73 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.39 159.07 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.9 t -87.29 148.8 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -77.21 -60.91 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -52.24 -49.27 64.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' GLY . 54.8 p -40.53 -46.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.64 -40.97 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -69.06 -30.22 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.06 -14.83 23.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.82 106.66 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.6 150.04 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -103.31 -58.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 24.2 mtp180 -35.16 114.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -64.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' CYS . 52.7 p-10 -87.26 29.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASN . 11.9 t -35.55 114.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 10.1 ptpp? -83.23 36.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 12.7 m-85 -136.88 147.3 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.9 tp -85.64 148.11 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' H ' HD12 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -107.17 99.31 26.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.582 0.706 . . . . 0.0 110.874 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.78 146.73 60.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.284 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.63 12.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.7 m -65.74 -51.24 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 30.3 p80 -50.46 -22.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.6 mt -95.68 -39.13 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -39.9 -43.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.3 m -48.67 -51.27 29.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -46.46 -50.22 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.1 mt -44.7 -51.63 9.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -52.45 -54.81 27.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.54 -64.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.28 95.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.1 p -118.82 -44.72 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.32 85.71 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -25.84 28.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 t -79.68 137.01 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.2 p -78.21 114.9 17.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.497 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -105.7 116.12 31.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -131.34 142.6 50.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.03 49.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.9 m -83.44 48.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -120.84 141.61 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -132.09 7.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.24 7.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 16' ' ' ARG . 33.1 m -94.66 -32.36 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' HG2' HG23 ' A' ' 15' ' ' VAL . 39.4 ptt85 -164.76 128.77 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -123.93 -54.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 m -126.08 43.85 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -101.28 -37.56 8.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -89.41 -6.28 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 mt -105.71 40.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -117.15 162.83 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' HG12 ' A' ' 57' ' ' VAL . 32.0 mt -151.26 143.41 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.14 137.86 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.17 135.46 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 52.4 t -70.31 104.7 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -40.26 -61.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' PHE . 2.3 mp0 -46.58 -61.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 26.7 t80 -35.5 -50.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -49.89 -58.51 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -66.36 -23.44 66.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.96 23.15 18.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.3 p -108.03 29.86 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 t -113.26 95.63 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -87.66 35.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -118.5 143.53 46.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -75.25 -178.06 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.65 -36.26 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.94 -4.19 58.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -100.81 -49.67 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.4 t -78.29 138.15 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -83.53 33.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 41.9 m-85 -140.28 166.39 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.93 132.56 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 4.4 m-70 -120.16 92.5 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.745 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 139.79 41.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.85 26.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -56.57 -37.61 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -65.09 -41.21 95.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.5 m -71.54 132.01 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -77.78 134.86 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.92 138.86 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . 6.9 tm-20 -92.22 167.03 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -52.28 107.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.42 11.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' GLU . 19.4 ttm180 -156.02 163.87 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.9 p -139.98 146.79 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.9 mt -91.91 140.61 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.59 156.97 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.65 148.65 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -78.17 -54.14 6.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.97 -51.53 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.5 p -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.45 -45.31 91.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.92 -28.7 69.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.76 -14.61 22.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -130.86 106.92 8.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.11 153.42 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ARG . 6.6 t -112.42 -41.7 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.9 mmt-85 -38.17 100.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -48.87 -61.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' CYS . 1.1 m120 -99.61 41.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.4 t -34.1 134.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.6 ' HD3' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -97.8 0.16 46.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 21.7 m-30 -115.37 148.16 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -79.05 156.85 28.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -108.02 95.52 15.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.872 179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.78 146.46 60.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.842 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.77 172.32 12.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 m -65.71 -50.22 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 25.8 p80 -52.26 -21.55 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.4 mt -95.47 -49.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 4.9 ttpp -34.16 -47.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.1 m -42.86 -51.07 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 88' ' ' ILE . 13.9 mm-40 -44.63 -45.1 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.67 -40.07 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.81 -51.03 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 85' ' ' GLN . 82.7 mt -39.53 -44.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ILE . 2.2 t-20 -35.76 103.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -129.16 100.97 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.37 89.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.6 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.5 p -73.83 -43.52 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.8 m -56.18 -51.64 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.471 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -131.39 167.91 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLY . 24.4 m -44.37 -43.59 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' SER . . . -35.78 123.0 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.542 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 m -143.13 154.0 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -125.13 151.22 46.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.14 -151.31 11.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 172.45 12.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' ARG . 27.7 m -74.98 -43.29 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' VAL . 2.6 tpt180 -119.11 87.81 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.42 132.75 35.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 21' ' ' LEU . 20.1 p -82.37 49.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -79.11 -40.11 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -90.7 19.16 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 18' ' ' THR . 25.1 mt -120.42 39.63 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 p -112.69 148.29 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 86' ' ' LEU . 25.4 mt -144.24 141.09 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.39 124.69 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.2 t -76.15 140.86 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 52.8 t -61.94 104.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 21.4 ttp-105 -36.84 -56.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 51.3 mm-40 -52.98 -58.15 7.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 44.7 t80 -38.04 -55.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -43.22 -49.56 6.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -72.37 -33.18 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.11 38.7 3.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -132.48 37.5 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -112.3 116.65 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -94.75 35.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -119.88 137.52 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -69.65 -178.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -74.67 -33.05 62.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -100.64 2.9 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.41 -48.32 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.24 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -7.97 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.48 167.64 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.24 140.92 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 2.8 m-70 -117.9 92.67 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.713 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.74 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 177.42 5.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.49 -53.6 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -51.16 -43.44 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -73.11 132.72 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.32 152.6 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -137.98 125.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' ARG . 14.7 tp10 -86.39 168.92 13.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.18 107.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.13 20.67 15.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' GLU . 28.7 ttm-85 -153.77 167.06 30.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 46' ' ' PRO . 10.9 p -149.64 144.7 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.4 129.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' HG3' ' A' ' 78' ' ' PRO . . . -77.26 145.47 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.59 148.15 48.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -75.28 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -49.51 -48.49 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 p -44.28 -35.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.1 mt -54.81 -44.0 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -68.6 -26.01 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.27 -12.53 33.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -130.44 105.67 8.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.6 t -100.03 151.42 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 1.7 t -117.01 -48.47 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.3 mtp180 -35.13 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.85 -68.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -86.09 37.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.6 t -40.81 110.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.08 34.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -137.78 143.52 41.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.83 HD21 ' HB1' ' A' ' 44' ' ' ALA . 7.5 tp -84.02 150.33 25.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -104.72 98.26 14.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.565 0.698 . . . . 0.0 110.851 179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.3 Cg_endo -69.81 150.53 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.85 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.78 172.3 12.91 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -64.74 -55.67 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 23.0 p80 -47.71 -20.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.85 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.8 mt -96.95 -57.6 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LEU . 36.7 mtmt -33.83 -33.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' LEU . 33.4 m -52.5 -57.02 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.582 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.1 pt20 -45.65 -33.62 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 23' ' ' LEU . 25.1 mt -80.69 -44.09 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.82 -49.89 75.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 85' ' ' GLN . 57.5 mt -38.75 -61.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 t30 56.7 54.81 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.498 ' HB2' HG22 ' A' ' 88' ' ' ILE . 1.7 m -131.53 129.92 41.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.76 59.87 4.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.41 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -127.43 100.85 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 m -123.47 80.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 t -105.29 -50.94 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 p -73.43 146.04 45.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 66.57 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -98.61 41.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 m -90.89 -51.59 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 14' ' ' PRO . . . -170.77 101.64 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 53.3 Cg_endo -69.8 -19.84 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG13 ' O ' ' A' ' 15' ' ' VAL . 3.2 p -115.72 87.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -119.61 93.98 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -155.18 145.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.6 p -121.21 38.83 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -102.39 -30.17 11.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 17.4 p-90 -102.04 -15.53 16.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 HD21 ' CZ2' ' A' ' 20' ' ' TRP . 16.5 mt -95.51 41.08 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 p -109.52 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' HD21 ' A' ' 86' ' ' LEU . 60.7 mt -151.56 155.49 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.27 139.91 39.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.83 128.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 42.8 t -52.21 114.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.19 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' OE1' ' CG2' ' A' ' 33' ' ' THR . 13.0 mm-40 -57.59 -50.99 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 42.7 t80 -43.05 -55.12 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.34 -43.67 16.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -76.51 -31.82 57.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 29.56 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 10.0 t -124.6 39.67 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.98 97.77 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -89.32 37.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -119.77 129.44 54.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -63.53 -176.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.47 -35.22 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.57 -10.81 59.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -51.89 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.95 131.82 42.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -82.05 19.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 27.5 m-85 -123.73 159.12 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.907 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -95.76 130.8 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 1.7 m-70 -116.73 92.66 38.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.6 Cg_endo -69.79 124.36 10.99 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 176.48 6.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -57.0 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 m -51.42 -44.05 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -72.14 134.82 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -75.91 151.26 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -120.58 130.89 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.93 168.3 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -54.75 106.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.22 19.17 11.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -157.02 173.37 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.484 HG21 ' HB3' ' A' ' 46' ' ' PRO . 4.8 p -148.48 138.68 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.8 mt -87.58 135.06 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 157.44 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 137.54 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -71.04 -40.22 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.56 -52.3 33.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -41.35 -32.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 96.3 mt -56.13 -43.83 78.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -28.59 67.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.35 -11.91 26.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -131.11 106.94 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.31 155.98 17.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 70' ' ' ARG . 45.8 t -118.59 -52.44 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' SER . 21.5 mmt180 -33.58 111.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -69.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' CYS . 4.5 m120 -85.12 33.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -36.47 114.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -89.38 29.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -129.96 136.25 49.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.907 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.7 tp -73.47 149.57 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -105.51 95.59 10.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.815 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.76 145.88 58.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.668 ' HB2' ' CD2' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.8 172.47 12.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -68.38 -42.37 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.668 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 30.4 p80 -59.68 -22.98 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.531 ' HG ' ' CE1' ' A' ' 81' ' ' HIS . 15.7 mt -97.14 -41.17 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 31.2 mtpt -42.36 -46.25 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.3 m -42.12 -54.66 3.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -43.53 -47.65 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HG ' ' A' ' 23' ' ' LEU . 87.9 mt -50.01 -45.77 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.08 -56.79 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 77.4 mt -44.15 -43.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -45.72 111.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -81.97 177.38 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.45 -76.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -4.43 13.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.9 m -60.66 132.66 54.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -103.1 81.36 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.506 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -79.12 159.5 27.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 t -42.97 133.7 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.6 144.18 18.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -93.8 145.47 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.3 p -91.81 167.41 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.66 119.46 15.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.435 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.9 67.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -108.77 -28.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -90.91 51.1 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -43.13 142.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 m -98.63 54.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -94.3 -42.83 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.504 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 9.0 p-90 -54.57 -31.89 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 30.5 mt -83.34 80.57 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -139.18 147.78 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.2 140.14 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.25 116.96 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.69 126.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t -53.61 113.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -47.95 -59.84 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 33' ' ' THR . 20.4 mt-30 -48.55 -53.56 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.8 -54.08 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.59 -54.2 19.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -66.98 -24.6 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.54 37.17 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 28' ' ' GLN . 9.7 t -133.24 37.98 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -109.01 99.94 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 t -85.49 24.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -105.05 119.01 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -56.29 167.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.83 -27.47 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.01 -4.04 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -105.65 -54.73 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.31 137.19 58.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -85.97 27.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -133.4 167.0 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.65 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.79 136.26 39.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 4.3 m-70 -120.37 92.54 47.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.813 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.735 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.69 128.15 15.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.67 52.55 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.735 2.29 . . . . 0.0 112.301 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -43.85 -55.73 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -50.93 -40.34 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 m -70.62 147.07 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.61 158.22 24.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' A' ' 57' ' ' VAL . 88.0 t -139.71 134.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' ARG . 19.8 tt0 -94.54 168.79 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -52.91 106.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.95 20.83 15.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 ttm-85 -157.14 163.86 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 52' ' ' VAL . 4.7 p -146.22 145.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' LEU . 75.3 mt -93.31 143.04 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.03 155.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.7 153.03 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' HE3' ' A' ' 65' ' ' LYS . 38.6 t80 -82.16 -58.27 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.97 -50.43 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -39.02 -45.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -45.4 -43.95 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.49 -30.2 70.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.0 -12.5 24.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -130.02 105.03 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.85 145.52 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.6 m -98.05 -56.67 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.1 mtt180 -34.96 112.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -55.78 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -96.82 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' ASN . 22.9 t -34.82 129.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 8.64 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -115.56 141.41 48.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.9 tp -78.04 147.55 34.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -104.23 95.79 8.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.53 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.78 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.71 172.42 12.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -67.39 -49.62 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 28.1 p80 -52.06 -21.36 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.78 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.3 mt -96.94 -39.83 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -39.61 -35.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.7 m -51.1 -54.08 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -42.26 -45.1 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.47 -41.76 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.88 -57.64 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 95.1 mt -40.42 -46.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -63.65 81.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -42.25 -53.09 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.04 -110.41 2.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.13 9.64 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -103.97 147.77 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.1 m -116.53 120.97 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.468 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -77.28 156.37 31.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.8 p -160.74 118.45 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.87 164.34 15.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 164.44 31.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -103.74 165.34 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.64 90.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.46 9.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -100.18 137.81 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -156.11 138.02 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.73 152.61 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.14 45.57 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -101.49 -33.12 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.733 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 35.6 p-90 -83.9 -10.83 57.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.733 HD21 ' CZ2' ' A' ' 20' ' ' TRP . 17.2 mt -98.16 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 p -118.8 163.25 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -153.18 146.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -68.82 125.6 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -79.72 135.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -65.32 103.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.82 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 57.9 mt-30 -70.21 -46.43 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 20.8 t80 -50.44 -40.6 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -55.21 -54.75 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 3.0 mpt_? -61.51 -32.91 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 23.09 15.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 t -125.93 40.02 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.356 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.13 102.8 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 m -83.95 33.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -118.33 113.79 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -55.92 -176.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.55 -35.34 53.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -87.25 -7.67 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.59 -53.19 3.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 132.92 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -83.88 28.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.72 166.33 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 140.85 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.9 m-70 -120.87 92.58 48.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.721 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 133.29 25.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.13 13.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.63 -44.9 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -57.29 -41.74 80.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.2 m -68.3 143.25 55.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -85.39 123.98 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.94 130.65 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.4 mm-40 -84.79 168.93 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.11 106.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.85 17.63 9.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' GLU . 9.5 ttm180 -155.61 166.22 34.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -143.66 143.07 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -89.72 143.62 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.65 161.31 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 t -84.23 149.71 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -81.38 -54.93 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.93 -49.5 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 p -40.9 -43.79 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -46.66 -41.95 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -68.72 -30.3 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.95 -14.35 21.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -130.49 107.2 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.13 151.24 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -110.41 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' SER . 19.5 mtt-85 -34.95 116.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 2.3 tm-20 -60.06 -72.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' CYS . 26.2 t-20 -86.73 34.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.4 t -34.42 113.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -78.49 -1.75 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -99.4 137.44 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.879 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.1 tp -78.8 149.08 32.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -103.27 97.11 9.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.821 179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.75 148.68 65.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.814 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.3 Cg_endo -69.79 170.26 17.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 m -60.55 -58.93 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 27.9 p80 -44.38 -23.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.814 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -96.21 -40.71 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' LEU . 6.0 ttmt -35.21 -57.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -45.07 -45.74 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -46.99 -46.19 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.6 mt -49.92 -45.76 51.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.46 -42.45 82.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.494 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 61.7 mt -63.95 -49.62 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 88' ' ' ILE . 7.7 p30 45.38 51.98 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.8 p -43.13 165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.5 -73.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 53.5 Cg_endo -69.78 2.78 3.23 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' PRO . 29.1 t -35.42 -61.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 49.0 m 64.87 47.22 2.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -120.11 83.1 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -129.15 86.41 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.77 -81.87 1.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -163.46 146.78 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -104.59 -56.85 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.33 174.38 23.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.27 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -116.63 134.4 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -61.15 173.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.01 -55.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -91.72 44.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -69.96 -41.68 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -103.03 25.02 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 mt -131.55 36.77 3.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -122.25 157.24 32.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -153.56 136.15 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -65.93 118.79 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' CA ' ' A' ' 56' ' ' ARG . 59.5 t -65.73 139.82 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 38.3 t -61.6 115.75 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -66.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.558 ' HG3' HG23 ' A' ' 33' ' ' THR . 21.6 mp0 -44.1 -59.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.4 t80 -36.07 -52.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -55.55 -53.77 52.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -63.92 -23.37 67.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.821 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.01 36.72 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 28' ' ' GLN . 6.0 t -130.9 38.01 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -124.06 97.91 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 p -97.29 38.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -109.66 157.73 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -82.74 177.55 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.2 -31.73 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -94.95 0.62 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -101.45 -47.44 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 t -79.16 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 27.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.414 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 35.9 m-85 -139.54 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.05 139.15 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 3.2 m-70 -119.88 92.8 47.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.841 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.81 134.87 28.91 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 179.15 3.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -45.96 72.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 p -58.9 -26.9 64.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' SG ' ' C ' ' A' ' 75' ' ' TYR . 20.3 m -91.11 121.06 32.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -60.46 143.68 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -118.63 124.08 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -82.21 168.64 17.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.11 106.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 23.38 22.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' CA ' HG23 ' A' ' 25' ' ' VAL . 16.4 ttp180 -155.41 168.18 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.5 p -155.29 137.79 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.47 131.3 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.76 150.35 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.49 146.87 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -81.4 -46.36 14.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 -50.08 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -40.71 -42.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.3 mt -45.61 -43.02 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 67' ' ' ARG . . . 113.94 -12.27 22.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -131.12 105.66 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -100.32 150.0 23.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.7 t -112.67 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 56.1 mtt85 -34.42 112.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.28 -43.29 78.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' CYS . 2.7 m-20 -98.97 26.32 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ASN . 20.0 t -36.89 109.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -86.84 21.91 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 44.5 m-85 -127.32 136.37 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.841 HD13 ' HA ' ' A' ' 46' ' ' PRO . 10.4 tp -75.57 152.79 37.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.1 m170 -104.23 98.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.7 148.5 65.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.403 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -60.75 -63.03 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.623 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 22.7 p80 -41.48 -29.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.5 mt -88.83 -39.74 13.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -40.15 -39.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.416 HG22 HG13 ' A' ' 88' ' ' ILE . 17.1 m -58.32 -51.61 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' ILE . 15.9 mt-30 -42.65 -35.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.72 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 7.4 pt-20 -59.6 -34.25 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 85' ' ' GLN . 75.2 mt -53.25 -37.94 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -101.28 60.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -102.48 165.8 10.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 125.18 120.79 2.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.03 9.48 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 m -45.11 139.8 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.0 m -160.58 131.35 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -50.6 173.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m 38.43 43.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.99 -141.27 4.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -112.26 84.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -90.33 121.26 32.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.37 73.12 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -0.17 6.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.7 m -35.83 106.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.12 123.96 11.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -92.51 148.49 22.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.35 71.39 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -28.06 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -96.67 22.52 8.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -131.3 43.12 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -107.24 159.68 16.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.1 mt -152.62 141.78 21.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 124.59 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.33 147.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 49.7 t -71.56 103.89 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -38.4 -55.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' PHE . 60.8 mt-30 -54.16 -56.78 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t80 -37.12 -54.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -46.73 -50.95 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' HD2' ' N ' ' A' ' 31' ' ' ARG . 2.2 mpt_? -71.07 -29.51 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.45 20.38 20.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 42.0 p -108.84 34.71 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 t -116.25 111.11 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -102.05 31.58 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -115.94 137.49 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p -70.88 -175.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.03 -33.6 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -79.35 -15.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.07 -54.53 2.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.08 133.98 51.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -80.33 14.2 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 19.7 m-85 -122.88 162.23 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.787 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.72 134.77 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -117.35 92.86 41.43 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.796 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.8 Cg_endo -69.76 140.45 42.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.22 13.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.24 93.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.2 p -61.82 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -70.0 143.87 52.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -80.92 142.88 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.69 128.19 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -84.38 168.86 15.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -53.53 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.67 26.64 40.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -155.16 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.4 p -158.69 139.04 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -83.03 140.36 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.09 160.09 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -88.5 149.48 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -78.31 -57.63 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.45 -49.56 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -42.05 -40.08 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.15 -40.46 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.07 -30.17 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.17 -16.72 19.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -131.07 107.22 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -100.26 138.47 37.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -100.53 -38.81 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -38.9 118.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.52 -62.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' CYS . 42.5 t30 -100.07 40.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.2 t -33.92 132.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.585 ' HE2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.68 -0.85 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.585 ' CE2' ' HE2' ' A' ' 74' ' ' LYS . 22.2 m-85 -113.81 139.12 49.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.787 HD21 ' HB1' ' A' ' 44' ' ' ALA . 9.2 tp -73.6 153.73 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -105.28 95.45 9.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.831 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.7 Cg_endo -69.8 150.51 68.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.675 ' CG ' HD12 ' A' ' 82' ' ' LEU . 53.8 Cg_endo -69.77 173.01 11.6 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.8 m -65.4 -52.36 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.621 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 26.1 p80 -49.96 -26.97 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.675 HD12 ' CG ' ' A' ' 79' ' ' PRO . 25.3 mt -93.88 -39.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -42.66 -44.64 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.7 m -53.47 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -49.0 -25.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.3 mt -75.47 -56.12 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.69 -28.42 69.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mt -58.95 -43.51 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -92.64 96.97 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 p -90.94 -45.4 8.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.72 -150.6 6.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.86 69.48 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 m -81.92 82.69 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.1 p -125.74 41.14 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.466 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 p -103.63 42.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -96.37 114.68 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.06 -57.98 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.0 m -50.41 141.48 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -64.54 119.41 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.41 168.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -38.87 7.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -174.88 142.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -119.26 84.77 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.59 155.63 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.6 p -114.88 41.25 2.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -84.47 -44.97 13.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.481 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 1.5 p-90 -69.15 -29.29 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 20.7 mt -89.49 76.96 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -138.96 145.88 40.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -142.66 135.56 28.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.02 114.69 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.64 134.26 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.3 t -54.94 135.49 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -67.04 -60.77 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -48.26 -41.82 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -55.31 -50.15 70.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -52.43 -55.1 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -64.76 -30.0 71.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.33 37.28 4.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -131.18 34.93 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.166 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.3 t -117.99 106.24 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -102.52 35.22 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -117.01 119.81 36.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -56.83 156.52 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.83 -27.36 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -81.11 -16.67 52.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.87 -56.46 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 138.21 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -83.98 32.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 22.2 m-85 -139.56 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.11 133.37 44.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 3.7 m-70 -118.68 92.5 44.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.0 Cg_endo -69.72 122.87 9.55 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 168.05 22.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -48.07 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.7 m -54.25 -41.51 68.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.68 125.0 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.28 147.63 50.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.64 132.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -86.32 167.11 15.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -52.17 107.09 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.58 20.65 18.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . 7.0 ttt85 -156.22 173.45 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 46' ' ' PRO . 11.2 p -150.46 137.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.89 134.66 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.54 147.71 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.67 144.88 45.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -77.57 -53.14 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.54 -51.62 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLY . 13.7 p -40.33 -47.06 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -41.54 -42.42 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -70.91 -31.63 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.45 -11.16 23.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -131.0 104.67 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.3 t -100.19 156.38 17.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.6 t -120.88 -48.04 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.8 mmt180 -34.49 115.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.53 -70.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -86.77 35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.2 t -38.2 115.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -87.93 36.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -139.61 138.41 36.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.3 tp -75.74 151.83 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -107.95 96.41 17.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.72 148.26 64.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.673 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.1 Cg_endo -69.78 174.08 10.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.5 m -63.37 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.629 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 22.6 p80 -40.63 -41.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.3 mt -75.61 -55.71 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' LEU . 30.2 mtpt -33.0 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' LEU . 86.3 m -50.82 -52.38 41.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -43.48 -48.88 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.0 mt -50.91 -50.44 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -51.6 -58.29 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.2 mt -44.06 -37.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 57.41 48.18 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -103.5 90.06 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.14 -109.46 1.08 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.226 . . . . 0.0 112.332 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -90.52 118.53 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m -107.41 125.17 50.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.461 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 m -47.07 117.17 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 p -87.44 -5.53 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 137.26 2.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 m -96.59 162.33 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 m -108.46 42.71 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.36 64.58 0.49 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.0 t -126.05 91.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -108.82 -60.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -75.21 159.06 32.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.998 HG21 HG23 ' A' ' 58' ' ' ILE . 21.2 m -112.33 84.6 2.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -98.43 -46.21 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.438 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 19.8 p-90 -91.43 -22.79 20.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.853 ' HB2' HG23 ' A' ' 18' ' ' THR . 32.9 mt -88.96 45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -118.04 154.39 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 74.3 mt -146.78 147.96 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.88 137.9 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.49 135.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.8 117.99 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -55.2 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' CD ' HG23 ' A' ' 33' ' ' THR . 31.2 mm-40 -54.98 -42.96 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 46.4 t80 -53.7 -48.68 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.11 -50.39 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -71.08 -28.89 64.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.49 33.37 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' CD ' ' A' ' 28' ' ' GLN . 10.0 t -129.03 40.32 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.59 102.02 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 t -85.5 31.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -111.22 128.64 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 m -59.67 172.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.48 -30.57 66.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.62 3.2 42.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.63 -44.21 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.79 138.52 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -85.7 30.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -140.19 168.58 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.16 130.57 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.7 m170 -116.51 92.53 37.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.78 131.34 21.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.76 9.02 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -64.16 -38.85 92.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -64.36 -39.24 93.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -72.2 143.68 48.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -81.72 123.8 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -96.94 128.12 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.6 165.38 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -57.7 106.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.66 24.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -157.11 174.24 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -151.26 148.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.998 HG23 HG21 ' A' ' 18' ' ' THR . 45.7 mt -92.0 133.93 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -87.61 125.67 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.41 148.13 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.06 -54.22 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -57.03 -50.34 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 p -42.98 -33.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.79 -44.58 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.97 -28.81 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.42 -12.59 25.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -130.98 105.77 7.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.18 146.14 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ARG . 73.5 m -108.84 -42.16 4.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' SER . 10.7 mmp_? -34.22 116.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.27 -74.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' CYS . 31.1 m-20 -87.5 33.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ASN . 45.8 t -35.97 125.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 7.53 46.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -104.62 136.13 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.675 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 16.6 tp -74.67 147.7 41.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.3 OUTLIER -103.62 97.17 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.606 0.717 . . . . 0.0 110.866 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.519 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.79 149.22 66.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.78 172.94 11.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.471 HG23 ' NZ ' ' A' ' 83' ' ' LYS . 19.1 m -69.67 -43.43 72.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.655 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 31.4 p80 -56.99 -26.09 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.721 HD12 ' HD2' ' A' ' 79' ' ' PRO . 24.9 mt -91.34 -40.88 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' NZ ' HG23 ' A' ' 80' ' ' THR . 5.3 mtmp? -39.89 -37.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.6 m -49.82 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 88' ' ' ILE . 3.6 pt20 -40.75 -31.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD11 ' A' ' 23' ' ' LEU . 27.8 mt -82.38 -44.89 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -58.97 -44.09 91.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 85' ' ' GLN . 82.7 mt -37.87 -59.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -106.37 125.88 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -133.95 163.05 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.82 -140.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.65 18.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -58.65 139.48 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' GLY . 93.2 p -164.51 170.61 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.496 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 t -59.38 -44.56 92.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.9 m 54.88 42.13 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.11 129.01 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.9 p -65.64 102.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.9 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.09 -110.31 0.71 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.63 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.65 138.51 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -98.19 86.97 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.05 128.6 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 18' ' ' THR . 13.1 m -123.53 48.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -91.61 -38.89 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -95.58 8.21 44.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.07 36.83 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -123.23 162.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 80.4 mt -154.21 144.36 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -74.59 112.51 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 85.5 t -64.67 131.82 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ARG . 44.1 t -52.26 104.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.8 ptt180 -34.9 -59.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' PHE . 3.2 mm100 -51.82 -59.93 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' GLN . 40.0 t80 -35.42 -55.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.69 -49.14 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -77.8 -26.11 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.09 29.32 8.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.1 p -113.34 32.76 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -119.06 110.73 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -99.2 35.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -119.29 149.6 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -82.71 -176.3 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -77.39 -32.57 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' C ' ' OE1' ' A' ' 39' ' ' GLU . 1.4 tm-20 -81.77 -14.0 56.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -100.48 -55.28 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.75 134.77 52.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 11.0 ptmt -84.17 32.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 22.9 m-85 -139.41 168.37 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.97 134.25 43.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 m170 -118.45 92.76 44.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.82 129.98 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.22 19.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.223 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -59.42 -40.53 87.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.8 m -61.83 -42.69 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.5 m -73.14 136.36 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.64 135.7 48.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -111.48 125.89 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -84.93 160.72 20.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -53.18 107.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.36 16.29 27.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -154.81 171.22 19.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -147.72 144.95 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.7 mt -93.03 125.54 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.85 152.33 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.86 152.42 33.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.47 -54.91 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.03 -49.91 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 33.1 p -39.97 -38.05 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.92 -44.76 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' H ' ' CD ' ' A' ' 65' ' ' LYS . 8.2 mptt -66.15 -28.6 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.98 -15.7 21.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -130.49 110.44 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.09 150.07 22.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 34.9 m -106.03 -53.34 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 67.6 mtt-85 -35.12 122.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -95.06 39.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -38.68 115.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -86.91 35.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -138.84 139.21 38.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.9 tp -76.58 154.02 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 0.3 OUTLIER -109.69 98.67 34.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.76 148.59 65.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.269 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.799 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.8 Cg_endo -69.81 171.47 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.258 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m -60.26 -62.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.547 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 25.3 p80 -42.39 -25.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.799 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -93.41 -38.82 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -40.85 -44.56 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -52.62 -53.65 44.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.682 ' NE2' HD23 ' A' ' 82' ' ' LEU . 2.4 mp0 -43.33 -49.96 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.39 -43.13 54.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -68.97 -45.62 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 85' ' ' GLN . 93.2 mt -44.08 -41.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -81.32 44.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.4 p -106.72 -43.75 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 140.62 117.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -20.3 35.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -168.87 165.52 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.3 t -109.8 139.78 44.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.506 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 t -99.46 146.84 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -102.23 169.4 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.71 -137.13 8.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -62.27 150.42 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -149.13 157.67 43.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.13 134.02 3.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.44 9.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -110.54 164.48 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 27.87 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.59 100.2 12.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -124.34 65.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -101.49 -41.02 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -88.13 -4.49 58.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.95 32.71 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -109.22 151.52 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -146.41 142.5 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.64 127.4 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.13 136.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.85 104.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.5 mtm-85 -37.49 -55.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -51.65 -55.73 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -45.58 -51.96 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -70.92 -29.86 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.17 31.43 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.6 p -116.41 20.27 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -102.13 106.92 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 p -99.32 37.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -117.22 132.52 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -62.38 178.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -66.66 -41.12 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -87.75 0.35 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -100.15 -38.51 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.96 144.36 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 29.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 44.2 m-85 -138.88 169.9 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.855 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -97.27 132.05 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -118.88 92.66 45.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.769 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.7 Cg_endo -69.77 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.15 19.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -57.17 -43.79 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 m -57.84 -41.71 82.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.0 134.96 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -68.6 135.99 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 46' ' ' PRO . 51.9 t -110.32 130.41 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 166.92 14.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -55.73 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.64 18.38 10.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.9 ttm105 -155.53 172.18 18.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.6 p -152.14 144.06 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.5 mt -88.59 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -98.87 134.22 42.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.5 146.74 53.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.79 -56.79 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.39 -53.06 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 p -38.66 -38.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.12 -46.26 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' NZ ' ' HA ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.66 -30.37 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.65 -12.98 25.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 17.1 mtm105 -130.92 104.99 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.22 153.64 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.3 p -108.61 -34.29 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -53.06 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -47.14 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' CYS . 16.0 p-10 -93.52 40.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 t -36.39 121.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -84.16 6.94 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.07 141.31 48.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.855 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.5 tp -73.61 147.33 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 19.2 m170 -105.75 100.33 26.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.77 149.18 66.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.836 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.79 170.04 17.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -65.32 -45.73 83.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.634 ' CD2' ' HB2' ' A' ' 79' ' ' PRO . 31.5 p80 -57.06 -21.24 29.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.836 HD12 ' HD2' ' A' ' 79' ' ' PRO . 23.3 mt -96.21 -47.62 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.3 ttpt -35.88 -38.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.4 m -48.85 -48.38 41.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -48.34 -46.19 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.09 -52.29 64.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -48.93 -52.63 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.8 mt -49.68 -58.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -81.81 69.96 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -122.82 89.73 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 165.44 179.33 39.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -173.16 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -122.85 126.35 47.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -37.85 126.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.067 -0.851 . . . . 0.0 112.426 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 m -98.19 90.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -80.01 -57.2 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.15 116.2 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -69.91 82.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -161.23 140.98 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.38 -155.03 26.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 174.94 8.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.8 119.15 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 160.59 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 18' ' ' THR . 6.5 m-20 -133.63 63.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 18' ' ' THR . 13.9 t 29.49 50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -85.1 -47.05 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -68.03 -10.73 55.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -99.03 40.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.89 133.91 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -116.22 157.27 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.08 138.02 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 56' ' ' ARG . 96.8 t -85.84 143.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -70.27 108.07 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -54.05 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -50.86 -48.72 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.13 -54.25 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -47.87 -47.03 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.08 -32.71 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.43 37.41 3.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -134.11 39.17 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -116.67 93.63 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 m -87.49 38.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -117.18 133.77 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.438 ' N ' ' HB3' ' A' ' 40' ' ' GLU . 32.3 p -71.53 171.93 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.13 -40.24 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -89.64 1.93 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HB3' ' N ' ' A' ' 37' ' ' SER . 48.0 tt0 -100.82 -41.52 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.35 146.85 23.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -90.01 17.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CD1' ' HG3' ' A' ' 42' ' ' LYS . 29.8 m-85 -126.63 169.43 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.05 136.01 38.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 3.3 m-70 -119.84 92.79 47.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.81 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.2 Cg_endo -69.78 130.06 18.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -50.97 -37.73 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 m -64.0 -36.15 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.3 m -81.73 142.13 32.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -73.45 167.08 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -141.3 126.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' ARG . 65.5 mm-40 -81.93 169.07 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -53.05 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.39 17.45 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' GLU . 10.5 ttm105 -155.94 170.02 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 46' ' ' PRO . 9.6 p -144.73 147.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -91.06 141.64 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 148.1 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.79 147.28 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -76.57 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -55.94 -51.87 66.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.9 p -39.84 -27.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.5 mt -61.86 -45.91 91.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -64.74 -28.73 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.07 -15.75 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -130.9 109.09 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -100.11 153.65 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ARG . 33.2 m -108.82 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.3 mtp180 -36.27 126.09 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -69.2 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' CYS . 5.3 m120 -90.38 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.7 t -36.13 109.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -71.2 -15.07 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.83 134.25 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.6 tp -77.4 149.69 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -100.25 99.85 10.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.705 . . . . 0.0 110.835 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.3 Cg_endo -69.74 149.56 67.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.74 171.85 13.7 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' LEU . 5.6 m -60.25 -67.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.609 ' CE1' ' HG ' ' A' ' 82' ' ' LEU . 24.2 p80 -37.3 -32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.9 mt -82.61 -49.87 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -43.15 -42.39 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.2 m -51.4 -48.79 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -46.84 -49.84 19.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.4 mt -49.15 -41.04 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.99 -47.49 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.454 HG22 ' H ' ' A' ' 90' ' ' SER . 53.6 mt -67.6 -63.45 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 88' ' ' ILE . 1.9 p-10 45.71 42.7 8.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 88' ' ' ILE . 11.3 m -78.47 145.65 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.25 166.7 10.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 137.5 35.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.386 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -50.42 -44.63 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -72.86 151.49 41.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.45 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -123.71 154.03 40.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -148.88 138.53 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.77 110.71 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.53 130.75 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 47.6 t -50.72 119.48 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.24 -54.47 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.73 -50.99 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -43.82 -52.04 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.33 -55.25 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -61.48 -28.51 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.53 36.64 5.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -131.09 35.8 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -116.76 93.13 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -84.35 29.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -115.69 128.25 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 p -63.89 -175.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -33.68 61.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.64 -9.33 58.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -100.45 -52.24 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -74.46 139.25 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -83.4 35.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 84.5 m-85 -139.98 170.25 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.01 126.53 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -114.58 92.42 28.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.53 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -69.04 -39.24 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 p -63.86 -43.23 96.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.5 130.06 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -70.81 125.01 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -98.72 132.17 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.79 163.59 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.71 106.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.59 17.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -156.0 166.32 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.7 p -145.24 142.01 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.1 mt -89.97 133.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.99 136.97 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.09 153.64 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -85.09 -60.56 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -42.08 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.4 p -45.87 -47.75 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -47.46 -34.97 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -72.65 -28.74 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.73 -15.69 26.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.61 105.99 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.91 152.18 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.9 t -115.58 -43.9 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 44.7 mtt-85 -36.33 110.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -59.37 -59.61 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' CYS . 33.9 p-10 -96.27 35.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.5 t -35.25 124.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -87.68 -21.08 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.36 142.57 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.8 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -81.78 153.71 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 5.5 m170 -103.75 98.83 13.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.282 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.897 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.2 Cg_endo -69.76 164.5 34.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -57.03 -57.57 11.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.7 p-80 -46.18 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.897 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.0 mt -96.79 -38.0 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -43.11 -43.78 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.2 m -49.71 -53.02 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -40.75 -53.58 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' ILE . 40.9 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.899 0.381 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -138.98 151.54 46.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 57' ' ' VAL . 28.4 mt -152.61 141.94 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.57 125.49 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 95.4 t -81.2 129.22 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.13 121.75 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -56.07 -62.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -47.87 -45.05 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 37.2 t80 -48.14 -51.42 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -49.93 -58.48 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -67.64 -22.9 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.93 30.09 10.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 p -118.13 34.46 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.56 101.56 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -86.92 23.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -111.05 126.7 55.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -58.15 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.32 -32.27 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.43 -9.78 51.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -102.76 -56.19 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -55.49 139.3 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 43' ' ' PHE . 17.1 pttt -84.26 29.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CE1' ' HE2' ' A' ' 42' ' ' LYS . 69.0 m-85 -139.37 162.79 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.34 135.37 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.3 m170 -118.25 91.74 41.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.77 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.75 143.37 50.66 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 178.85 4.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -68.71 -33.47 73.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.8 m -77.91 7.11 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 76' ' ' LEU . 2.0 t -100.33 142.02 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -87.17 109.13 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.65 128.58 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ARG . 11.6 mt-10 -89.72 169.23 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.84 106.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.97 22.0 18.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLU . 6.6 ttm180 -157.15 171.17 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 23' ' ' LEU . 9.6 p -142.59 140.93 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.1 mt -89.05 129.16 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.05 162.49 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 t -85.0 155.18 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -88.93 -56.57 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.5 -47.6 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.506 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 23.4 p -42.95 -37.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 83' ' ' LYS . 22.9 mt -53.35 -41.24 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -68.83 -28.19 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.22 -13.52 26.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -131.0 107.79 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 t -99.89 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.4 m -106.56 -56.69 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' SER . 47.3 mmt-85 -33.3 113.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.85 -71.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -83.25 37.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.58 111.95 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -85.09 33.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -129.78 132.17 46.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.77 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.2 tp -75.58 147.56 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 10.1 m170 -104.28 96.91 10.62 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 110.83 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.73 152.13 69.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.841 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.83 172.07 13.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 m -66.87 -39.99 87.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.7 p-80 -64.01 -20.53 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.841 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -96.31 -49.19 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD23 ' A' ' 64' ' ' LEU . 18.0 mtmt -43.46 -26.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.2 m -62.57 -41.75 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -53.87 -23.85 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.4 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 1.2 m -124.13 137.93 54.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -119.15 163.79 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.42 142.17 31.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.15 143.3 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ARG . 43.1 t -69.89 105.6 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tpp85 -35.93 -63.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' PHE . 23.6 mt-30 -47.42 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' GLN . 25.7 t80 -35.83 -48.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.63 -59.85 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -65.45 -24.71 67.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.29 30.58 7.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -113.37 29.54 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 t -120.21 128.54 53.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -122.37 27.11 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -109.44 141.08 42.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.0 t -80.9 162.49 23.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -26.14 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.68 -21.49 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -99.87 -59.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.39 133.52 52.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -83.96 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.409 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 90.4 m-85 -137.38 168.17 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.93 126.76 46.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 m170 -111.52 92.58 16.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.609 0.719 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HA ' HD13 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 129.46 17.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.89 11.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -61.7 -45.67 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.2 p -58.86 -40.23 83.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.9 m -74.04 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -68.71 128.78 37.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' N ' ' OE1' ' A' ' 51' ' ' GLN . 60.1 t -100.23 132.25 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' ARG . 15.8 mt-10 -90.17 168.44 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -53.86 106.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.78 17.46 6.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' THR . 12.1 ttp180 -155.44 170.71 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -149.46 137.98 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.7 mt -84.07 137.04 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.88 155.76 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.0 t -82.74 145.92 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -73.13 -58.29 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -53.85 -52.91 58.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 57.0 p -39.46 -34.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.1 -46.02 65.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -29.95 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.84 -11.38 22.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -130.77 105.89 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -100.1 156.16 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ARG . 81.7 p -107.42 -56.0 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' SER . 54.3 mmt-85 -35.38 122.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.98 -74.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' CYS . 40.4 t30 -89.19 38.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -35.34 117.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -84.14 36.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.91 140.8 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.808 HD13 ' HA ' ' A' ' 46' ' ' PRO . 18.5 tp -76.94 145.42 38.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 21.9 m170 -105.35 97.83 14.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.4 Cg_endo -69.68 146.77 61.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.397 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.871 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.64 12.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' HIS . 5.8 m -59.29 -68.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.61 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 43.8 p-80 -36.17 -39.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.871 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -76.91 -46.26 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' THR . 29.5 mtpt -41.94 -50.0 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.9 m -54.0 -35.03 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -57.79 -38.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.3 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 86' ' ' LEU . 47.8 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.937 0.399 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.56 153.12 34.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -136.19 146.3 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -75.5 118.24 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.48 140.32 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 43.2 t -67.8 107.9 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -39.16 -61.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 16.6 mp0 -49.97 -57.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 31.9 t80 -37.88 -54.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -48.78 -58.24 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -62.61 -28.46 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.63 20.62 21.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -106.57 28.68 7.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 t -117.87 106.75 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -101.57 30.81 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -108.32 126.78 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -58.25 -178.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.66 -31.2 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -85.24 -5.27 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -104.87 -51.45 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -74.25 135.54 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 28.5 pttt -85.57 34.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 92.3 m-85 -139.91 167.4 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.12 129.66 46.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.0 m170 -115.87 92.53 34.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.788 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.82 135.09 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 175.08 8.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -64.0 -50.24 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -51.33 -34.88 35.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.3 m -84.16 133.75 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.72 150.07 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.1 t -122.71 129.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.14 165.74 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -52.39 106.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.91 23.29 22.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -156.17 174.05 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 46' ' ' PRO . 12.6 p -157.15 148.66 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -89.52 133.18 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.93 130.69 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -59.39 146.36 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 5.4 t80 -84.21 -54.68 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.33 -48.62 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 49.0 p -43.95 -36.05 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.15 -42.79 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.59 -10.39 32.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -130.99 108.73 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.43 152.73 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.8 m -112.56 -54.79 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' SER . 15.1 mtp180 -33.24 116.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.46 -72.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' CYS . 24.0 m-80 -87.09 33.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ASN . 38.8 t -34.22 111.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -88.65 33.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -131.38 133.48 45.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.788 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.4 tp -73.77 151.47 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.476 ' H ' HD12 ' A' ' 76' ' ' LEU . 21.4 m170 -107.8 97.38 20.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.8 Cg_endo -69.76 147.73 63.55 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.839 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.81 172.01 13.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.3 m -58.1 -65.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 56.6 p-80 -40.57 -29.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.839 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.3 mt -89.26 -35.52 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' THR . 4.4 mtmp? -47.06 -28.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.0 m -63.19 -56.98 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -39.85 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 21' ' ' LEU . 60.3 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.9 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.53 152.72 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.2 mt -145.46 140.87 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.32 114.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' CG1' ' A' ' 57' ' ' VAL . 46.4 t -65.59 141.75 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 44.9 t -57.41 109.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.453 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.88 -36.67 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.579 ' NE2' HH21 ' A' ' 31' ' ' ARG . 53.3 mm-40 -70.83 -54.76 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 38.1 t80 -41.42 -55.37 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.51 -52.7 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.579 HH21 ' NE2' ' A' ' 28' ' ' GLN . 40.6 mtm180 -68.71 -25.09 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.74 37.82 8.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.529 HG23 ' OE1' ' A' ' 28' ' ' GLN . 7.4 t -129.28 30.18 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.2 t -106.55 114.02 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 m -95.88 29.98 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -118.04 146.13 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.1 m -78.89 -176.51 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -34.61 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 6.8 tm-20 -83.44 -11.15 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -53.37 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.73 149.5 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.541 ' O ' HD21 ' A' ' 82' ' ' LEU . 13.0 mmmt -82.74 -1.29 51.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 26' ' ' CYS . 5.1 m-85 -120.79 167.39 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.001 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.82 146.44 26.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.5 m170 -124.49 92.74 47.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.82 133.16 24.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.07 61.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -44.21 -47.76 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.8 p -56.1 -36.61 68.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 m -78.04 134.43 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -74.85 151.42 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.0 t -134.04 131.94 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.71 168.39 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -51.98 108.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.57 22.88 26.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -157.08 172.75 18.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' HG22 ' A' ' 25' ' ' VAL . 9.1 p -153.24 143.28 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.7 mt -86.95 136.87 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.05 153.44 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.91 155.14 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -85.51 -56.69 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -56.87 -51.17 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 66' ' ' GLY . 15.0 p -39.02 -45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -44.05 -44.35 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.47 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 112.59 -12.75 25.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.86 104.89 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.48 152.12 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 25.4 m -109.99 -51.36 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 22.8 mmt180 -35.62 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -46.8 -65.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' CYS . 18.3 p30 -92.96 36.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 18.0 t -35.05 130.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -90.92 -13.74 32.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.11 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.001 HD21 ' HB1' ' A' ' 44' ' ' ALA . 13.3 tp -75.36 148.18 39.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.472 ' H ' HD12 ' A' ' 76' ' ' LEU . 6.4 m170 -102.63 96.8 7.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.73 146.92 61.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.853 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.76 172.19 13.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 83' ' ' LYS . 28.1 m -58.27 -70.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 79' ' ' PRO . 46.5 p-80 -35.87 -39.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.9 mt -75.95 -43.26 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.1 ttpp -38.14 -54.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 m -39.03 -46.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -48.86 -48.12 42.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 86' ' ' LEU . 27.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.881 0.372 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.652 HG21 ' HE ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -134.32 155.95 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -146.19 142.35 28.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -65.69 116.1 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.05 128.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 53.5 t -48.19 110.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -43.34 -58.51 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.74 -53.87 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -42.44 -52.23 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -48.29 -49.64 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -74.45 -25.63 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.3 21.37 25.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -112.28 39.24 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.129 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -118.66 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -98.82 30.9 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -115.36 140.16 49.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -75.2 -177.96 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.87 -32.23 51.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -77.11 -18.99 57.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -101.01 -55.8 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.44 132.02 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -83.8 32.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LYS . 2.9 m-85 -137.75 163.13 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.09 135.05 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -118.23 92.32 42.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.706 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.72 122.05 8.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.02 7.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.86 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -55.72 -37.38 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.22 137.36 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.75 156.39 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -132.3 123.39 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -88.06 165.23 15.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -53.86 106.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.87 21.03 15.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 22' ' ' THR . 10.3 ttp180 -155.34 167.88 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.9 p -151.88 139.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.5 mt -84.79 133.4 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.89 131.09 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.057 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.41 139.48 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.61 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.93 -51.01 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 p -40.29 -46.72 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -46.65 -40.97 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -67.57 -29.74 69.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.25 -15.04 25.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -130.82 107.36 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.25 153.03 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 41.2 t -114.03 -53.07 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.7 mtp180 -34.7 109.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -90.82 41.4 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.1 t -42.64 116.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -87.54 37.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -141.05 137.6 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.6 tp -76.79 151.06 36.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.8 m170 -106.53 95.34 11.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.252 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.4 Cg_endo -69.69 172.31 12.81 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.409 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.5 m -51.18 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.653 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.3 p-80 -39.83 -49.29 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.828 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.1 mt -67.08 -29.8 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' THR . 7.5 ttpp -70.79 -42.4 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -59.62 -37.8 79.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -61.39 -21.81 64.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 21' ' ' LEU . 55.2 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.0 p -116.55 156.24 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 34.3 mt -147.42 148.21 31.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.83 124.61 27.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 135.25 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.5 t -45.11 121.38 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -48.61 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -51.0 -56.33 12.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -39.81 -55.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -45.13 -46.16 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -75.9 -32.08 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.3 6.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -123.59 37.1 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -120.85 109.54 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.8 m -99.78 33.11 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -117.58 135.18 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -68.35 179.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.77 -29.51 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.96 -15.61 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.25 -55.22 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.4 143.44 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HE2' ' CE2' ' A' ' 43' ' ' PHE . 22.8 pttt -84.11 27.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CE2' ' HE2' ' A' ' 42' ' ' LYS . 89.1 m-85 -139.96 170.1 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 132.75 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -117.59 92.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.78 118.86 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.97 29.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -34.89 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -65.12 -27.87 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.9 m -90.8 140.01 30.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 121.6 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.0 t -99.8 131.62 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.1 tm-20 -88.87 168.66 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.16 108.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 17.66 8.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.4 ttt180 -157.1 164.79 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 46' ' ' PRO . 15.0 p -140.49 136.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.0 mt -83.92 127.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.5 155.04 27.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -81.76 158.24 24.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -83.95 -59.62 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.4 -49.76 69.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 60.8 p -39.03 -44.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.7 mt -44.96 -43.87 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -66.78 -30.22 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.87 21.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 107.62 9.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.0 t -100.25 144.33 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' ARG . 72.6 m -96.82 -55.57 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . 7.9 mtp85 -33.89 123.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.3 -65.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -91.76 36.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -43.39 114.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -84.28 34.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.22 142.69 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 44' ' ' ALA . 24.4 tp -80.63 145.89 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m170 -107.1 101.28 37.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.7 Cg_endo -69.69 145.33 57.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.811 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.8 172.55 12.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.9 m -64.48 -46.06 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 35.7 p-80 -57.24 -30.71 64.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.811 HD12 ' HD2' ' A' ' 79' ' ' PRO . 22.8 mt -86.17 -41.38 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' LEU . 37.9 mttt -35.32 -44.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -42.93 -59.02 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -41.93 -53.66 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.9 0.381 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -109.57 157.04 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.5 mt -148.57 143.77 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.2 132.89 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 57' ' ' VAL . 58.2 t -87.27 127.87 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.4 t -55.01 105.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -44.21 -53.71 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' PHE . 62.1 mt-30 -51.91 -56.87 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 17.6 t80 -38.36 -54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -45.74 -51.41 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -75.03 -23.59 58.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.25 31.59 10.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 p -117.91 31.99 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.116 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -106.53 99.52 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 t -85.04 26.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -108.04 129.42 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -55.02 175.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -75.23 -32.61 61.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -97.14 -0.32 47.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -100.3 -46.93 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.89 143.97 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -90.11 28.06 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -140.02 165.08 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.37 142.67 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 14.1 m170 -119.94 92.61 46.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.2 Cg_endo -69.73 122.5 9.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.48 66.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -44.98 -45.38 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -55.85 -41.56 74.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -75.57 137.82 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.15 130.24 41.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.34 131.48 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.16 162.46 15.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -53.29 107.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.56 16.18 10.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.2 ttm105 -156.17 167.93 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.4 p -146.81 140.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.1 mt -86.31 133.73 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.39 159.07 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.9 t -87.29 148.8 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -77.21 -60.91 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -52.24 -49.27 64.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' GLY . 54.8 p -40.53 -46.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.64 -40.97 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -69.06 -30.22 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.06 -14.83 23.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.82 106.66 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.6 150.04 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -103.31 -58.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 24.2 mtp180 -35.16 114.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -64.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' CYS . 52.7 p-10 -87.26 29.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASN . 11.9 t -35.55 114.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 10.1 ptpp? -83.23 36.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 12.7 m-85 -136.88 147.3 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.9 tp -85.64 148.11 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.469 ' H ' HD12 ' A' ' 76' ' ' LEU . 20.5 m170 -107.17 99.31 26.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.582 0.706 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.78 146.73 60.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.284 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.63 12.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.7 m -65.74 -51.24 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 38.9 p-80 -50.46 -22.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.6 mt -95.68 -39.13 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -39.9 -43.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.3 m -48.67 -51.27 29.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -46.46 -50.22 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -117.15 162.83 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' HG12 ' A' ' 57' ' ' VAL . 32.0 mt -151.26 143.41 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.14 137.86 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.17 135.46 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 52.4 t -70.31 104.7 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -40.26 -61.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' PHE . 2.3 mp0 -46.58 -61.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 26.7 t80 -35.5 -50.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -49.89 -58.51 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -66.36 -23.44 66.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.96 23.15 18.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.3 p -108.03 29.86 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 t -113.26 95.63 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -87.66 35.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -118.5 143.53 46.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -75.25 -178.06 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.65 -36.26 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' HA ' ' CE1' ' A' ' 81' ' ' HIS . 11.5 pt-20 -87.94 -4.19 58.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -100.81 -49.67 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.4 t -78.29 138.15 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -83.53 33.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 41.9 m-85 -140.28 166.39 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.93 132.56 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 6.0 m170 -120.16 92.5 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.745 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 139.79 41.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.85 26.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -56.57 -37.61 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -65.09 -41.21 95.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.5 m -71.54 132.01 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -77.78 134.86 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.92 138.86 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . 6.9 tm-20 -92.22 167.03 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -52.28 107.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.42 11.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' GLU . 19.4 ttm180 -156.02 163.87 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.9 p -139.98 146.79 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.9 mt -91.91 140.61 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.59 156.97 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.65 148.65 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -78.17 -54.14 6.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.97 -51.53 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.5 p -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.45 -45.31 91.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.92 -28.7 69.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.76 -14.61 22.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -130.86 106.92 8.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.11 153.42 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ARG . 6.6 t -112.42 -41.7 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.9 mmt-85 -38.17 100.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -48.87 -61.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' CYS . 1.1 m120 -99.61 41.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.4 t -34.1 134.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.6 ' HD3' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -97.8 0.16 46.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 21.7 m-30 -115.37 148.16 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -79.05 156.85 28.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 20.2 m170 -108.02 95.52 15.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.78 146.46 60.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.842 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.77 172.32 12.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 m -65.71 -50.22 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 47.1 p-80 -52.26 -21.55 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.842 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.4 mt -95.47 -49.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 4.9 ttpp -34.16 -47.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.1 m -42.86 -51.07 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -44.63 -45.1 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.853 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 p -112.69 148.29 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 86' ' ' LEU . 25.4 mt -144.24 141.09 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.39 124.69 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.2 t -76.15 140.86 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 52.8 t -61.94 104.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 21.4 ttp-105 -36.84 -56.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 51.3 mm-40 -52.98 -58.15 7.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 44.7 t80 -38.04 -55.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -43.22 -49.56 6.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -72.37 -33.18 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.11 38.7 3.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -132.48 37.5 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -112.3 116.65 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -94.75 35.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -119.88 137.52 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -69.65 -178.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -74.67 -33.05 62.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -100.64 2.9 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.41 -48.32 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.24 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -7.97 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.48 167.64 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.24 140.92 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 4.9 m170 -117.9 92.67 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.713 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.74 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 177.42 5.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.49 -53.6 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -51.16 -43.44 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -73.11 132.72 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.32 152.6 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -137.98 125.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' ARG . 14.7 tp10 -86.39 168.92 13.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.18 107.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.13 20.67 15.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' GLU . 28.7 ttm-85 -153.77 167.06 30.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 46' ' ' PRO . 10.9 p -149.64 144.7 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.4 129.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' HG3' ' A' ' 78' ' ' PRO . . . -77.26 145.47 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.59 148.15 48.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -75.28 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -49.51 -48.49 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 p -44.28 -35.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.1 mt -54.81 -44.0 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -68.6 -26.01 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.27 -12.53 33.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -130.44 105.67 8.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.6 t -100.03 151.42 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 1.7 t -117.01 -48.47 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.3 mtp180 -35.13 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.85 -68.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -86.09 37.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.6 t -40.81 110.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.08 34.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -137.78 143.52 41.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.83 HD21 ' HB1' ' A' ' 44' ' ' ALA . 7.5 tp -84.02 150.33 25.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 11.4 m170 -104.72 98.26 14.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.565 0.698 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.3 Cg_endo -69.81 150.53 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.85 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.78 172.3 12.91 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -64.74 -55.67 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 52.9 p-80 -47.71 -20.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.85 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.8 mt -96.95 -57.6 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LEU . 36.7 mtmt -33.83 -33.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' LEU . 33.4 m -52.5 -57.02 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.492 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 4.1 pt20 -45.65 -33.62 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 23' ' ' LEU . 25.1 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 p -109.52 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' HD21 ' A' ' 86' ' ' LEU . 60.7 mt -151.56 155.49 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.27 139.91 39.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.83 128.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 42.8 t -52.21 114.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.19 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.481 ' OE1' ' CG2' ' A' ' 33' ' ' THR . 13.0 mm-40 -57.59 -50.99 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 42.7 t80 -43.05 -55.12 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.34 -43.67 16.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -76.51 -31.82 57.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 29.56 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 10.0 t -124.6 39.67 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.98 97.77 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -89.32 37.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -119.77 129.44 54.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -63.53 -176.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.47 -35.22 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.57 -10.81 59.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -51.89 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.95 131.82 42.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -82.05 19.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 27.5 m-85 -123.73 159.12 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.907 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -95.76 130.8 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 2.8 m170 -116.73 92.66 38.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.6 Cg_endo -69.79 124.36 10.99 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 176.48 6.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -57.0 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 m -51.42 -44.05 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -72.14 134.82 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -75.91 151.26 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -120.58 130.89 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.93 168.3 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -54.75 106.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.22 19.17 11.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -157.02 173.37 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.484 HG21 ' HB3' ' A' ' 46' ' ' PRO . 4.8 p -148.48 138.68 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.8 mt -87.58 135.06 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 157.44 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 137.54 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -71.04 -40.22 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.56 -52.3 33.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -41.35 -32.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 96.3 mt -56.13 -43.83 78.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -28.59 67.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.35 -11.91 26.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -131.11 106.94 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.31 155.98 17.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 70' ' ' ARG . 45.8 t -118.59 -52.44 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' SER . 21.5 mmt180 -33.58 111.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -69.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' CYS . 4.5 m120 -85.12 33.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -36.47 114.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -89.38 29.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -129.96 136.25 49.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.907 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.7 tp -73.47 149.57 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.0 m170 -105.51 95.59 10.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.815 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.76 145.88 58.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.693 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.8 172.47 12.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -68.38 -42.37 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.693 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.3 p-80 -59.68 -22.98 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.7 mt -97.14 -41.17 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 31.2 mtpt -42.36 -46.25 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.3 m -42.12 -54.66 3.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -43.53 -47.65 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HG ' ' A' ' 23' ' ' LEU . 87.9 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 58' ' ' ILE . 30.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.897 0.379 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -139.18 147.78 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.2 140.14 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.25 116.96 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.69 126.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t -53.61 113.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -47.95 -59.84 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 33' ' ' THR . 20.4 mt-30 -48.55 -53.56 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.8 -54.08 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.59 -54.2 19.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -66.98 -24.6 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.54 37.17 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 28' ' ' GLN . 9.7 t -133.24 37.98 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -109.01 99.94 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 t -85.49 24.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -105.05 119.01 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -56.29 167.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.83 -27.47 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.01 -4.04 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -105.65 -54.73 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.31 137.19 58.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -85.97 27.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -133.4 167.0 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.65 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.79 136.26 39.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 m170 -120.37 92.54 47.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.813 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.735 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.69 128.15 15.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.67 52.55 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.735 2.29 . . . . 0.0 112.301 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -43.85 -55.73 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -50.93 -40.34 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 m -70.62 147.07 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.61 158.22 24.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' A' ' 57' ' ' VAL . 88.0 t -139.71 134.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' ARG . 19.8 tt0 -94.54 168.79 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -52.91 106.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.95 20.83 15.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 ttm-85 -157.14 163.86 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 52' ' ' VAL . 4.7 p -146.22 145.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' LEU . 75.3 mt -93.31 143.04 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.03 155.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.7 153.03 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' HE3' ' A' ' 65' ' ' LYS . 38.6 t80 -82.16 -58.27 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.97 -50.43 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -39.02 -45.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -45.4 -43.95 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.49 -30.2 70.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.0 -12.5 24.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -130.02 105.03 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.85 145.52 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.6 m -98.05 -56.67 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.1 mtt180 -34.96 112.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -55.78 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -96.82 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' ASN . 22.9 t -34.82 129.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 8.64 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -115.56 141.41 48.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.9 tp -78.04 147.55 34.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -104.23 95.79 8.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.53 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.78 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.71 172.42 12.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -67.39 -49.62 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.684 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -52.06 -21.36 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.78 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.3 mt -96.94 -39.83 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -39.61 -35.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.7 m -51.1 -54.08 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -42.26 -45.1 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.372 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 p -118.8 163.25 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -153.18 146.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -68.82 125.6 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -79.72 135.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -65.32 103.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.82 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 57.9 mt-30 -70.21 -46.43 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 20.8 t80 -50.44 -40.6 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -55.21 -54.75 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 3.0 mpt_? -61.51 -32.91 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 23.09 15.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 t -125.93 40.02 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.356 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.13 102.8 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 m -83.95 33.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -118.33 113.79 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -55.92 -176.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.55 -35.34 53.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -87.25 -7.67 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.59 -53.19 3.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 132.92 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -83.88 28.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.72 166.33 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 140.85 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m170 -120.87 92.58 48.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.721 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 133.29 25.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.13 13.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.63 -44.9 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -57.29 -41.74 80.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.2 m -68.3 143.25 55.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -85.39 123.98 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.94 130.65 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.4 mm-40 -84.79 168.93 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -54.11 106.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.85 17.63 9.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' GLU . 9.5 ttm180 -155.61 166.22 34.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -143.66 143.07 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -89.72 143.62 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.65 161.31 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 t -84.23 149.71 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -81.38 -54.93 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.93 -49.5 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 p -40.9 -43.79 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -46.66 -41.95 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -68.72 -30.3 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.95 -14.35 21.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -130.49 107.2 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.13 151.24 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -110.41 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' SER . 19.5 mtt-85 -34.95 116.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 2.3 tm-20 -60.06 -72.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' CYS . 26.2 t-20 -86.73 34.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.4 t -34.42 113.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -78.49 -1.75 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -99.4 137.44 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.879 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.1 tp -78.8 149.08 32.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.6 m170 -103.27 97.11 9.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.821 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.75 148.68 65.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.814 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.3 Cg_endo -69.79 170.26 17.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 m -60.55 -58.93 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.6 p-80 -44.38 -23.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.814 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -96.21 -40.71 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' LEU . 6.0 ttmt -35.21 -57.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -45.07 -45.74 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -46.99 -46.19 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.878 0.37 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -122.25 157.24 32.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -153.56 136.15 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -65.93 118.79 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' CA ' ' A' ' 56' ' ' ARG . 59.5 t -65.73 139.82 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 38.3 t -61.6 115.75 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -66.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.558 ' HG3' HG23 ' A' ' 33' ' ' THR . 21.6 mp0 -44.1 -59.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.4 t80 -36.07 -52.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -55.55 -53.77 52.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -63.92 -23.37 67.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.821 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.01 36.72 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 28' ' ' GLN . 6.0 t -130.9 38.01 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -124.06 97.91 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 p -97.29 38.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -109.66 157.73 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -82.74 177.55 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.2 -31.73 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -94.95 0.62 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -101.45 -47.44 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 t -79.16 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 27.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.414 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 35.9 m-85 -139.54 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.05 139.15 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 12.2 m170 -119.88 92.8 47.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.841 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.81 134.87 28.91 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 179.15 3.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -45.96 72.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 p -58.9 -26.9 64.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' SG ' ' C ' ' A' ' 75' ' ' TYR . 20.3 m -91.11 121.06 32.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -60.46 143.68 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -118.63 124.08 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -82.21 168.64 17.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.11 106.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 23.38 22.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.411 ' CA ' HG23 ' A' ' 25' ' ' VAL . 16.4 ttp180 -155.41 168.18 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.5 p -155.29 137.79 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.47 131.3 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.76 150.35 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.49 146.87 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -81.4 -46.36 14.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 -50.08 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -40.71 -42.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.3 mt -45.61 -43.02 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 67' ' ' ARG . . . 113.94 -12.27 22.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -131.12 105.66 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -100.32 150.0 23.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.7 t -112.67 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 56.1 mtt85 -34.42 112.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.28 -43.29 78.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' CYS . 2.7 m-20 -98.97 26.32 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ASN . 20.0 t -36.89 109.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -86.84 21.91 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.422 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 44.5 m-85 -127.32 136.37 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.841 HD13 ' HA ' ' A' ' 46' ' ' PRO . 10.4 tp -75.57 152.79 37.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.1 m170 -104.23 98.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.7 148.5 65.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.403 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -60.75 -63.03 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 53.3 p-80 -41.48 -29.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.5 mt -88.83 -39.74 13.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -40.15 -39.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.1 m -58.32 -51.61 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -42.65 -35.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -107.24 159.68 16.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.1 mt -152.62 141.78 21.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 124.59 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.33 147.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 49.7 t -71.56 103.89 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -38.4 -55.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' PHE . 60.8 mt-30 -54.16 -56.78 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t80 -37.12 -54.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -46.73 -50.95 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.485 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mpt_? -71.07 -29.51 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.45 20.38 20.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 42.0 p -108.84 34.71 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 t -116.25 111.11 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -102.05 31.58 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -115.94 137.49 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p -70.88 -175.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.03 -33.6 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -79.35 -15.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.07 -54.53 2.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.08 133.98 51.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -80.33 14.2 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 19.7 m-85 -122.88 162.23 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.787 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.72 134.77 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -117.35 92.86 41.43 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.796 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.8 Cg_endo -69.76 140.45 42.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.22 13.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.24 93.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.2 p -61.82 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -70.0 143.87 52.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -80.92 142.88 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.69 128.19 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -84.38 168.86 15.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -53.53 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.67 26.64 40.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -155.16 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.4 p -158.69 139.04 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -83.03 140.36 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.09 160.09 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -88.5 149.48 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -78.31 -57.63 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.45 -49.56 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -42.05 -40.08 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.15 -40.46 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.07 -30.17 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.17 -16.72 19.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -131.07 107.22 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -100.26 138.47 37.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -100.53 -38.81 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -38.9 118.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.52 -62.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' CYS . 42.5 t30 -100.07 40.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.2 t -33.92 132.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.585 ' HE2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.68 -0.85 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.585 ' CE2' ' HE2' ' A' ' 74' ' ' LYS . 22.2 m-85 -113.81 139.12 49.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.787 HD21 ' HB1' ' A' ' 44' ' ' ALA . 9.2 tp -73.6 153.73 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.5 m170 -105.28 95.45 9.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.7 Cg_endo -69.8 150.51 68.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.711 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.8 Cg_endo -69.77 173.01 11.6 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.8 m -65.4 -52.36 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.711 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -49.96 -26.97 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.675 HD12 ' CG ' ' A' ' 79' ' ' PRO . 25.3 mt -93.88 -39.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -42.66 -44.64 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.7 m -53.47 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -49.0 -25.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.3 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.91 0.386 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -138.96 145.88 40.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -142.66 135.56 28.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.02 114.69 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.64 134.26 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.3 t -54.94 135.49 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -67.04 -60.77 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -48.26 -41.82 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -55.31 -50.15 70.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -52.43 -55.1 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -64.76 -30.0 71.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.33 37.28 4.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -131.18 34.93 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.166 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.3 t -117.99 106.24 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -102.52 35.22 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -117.01 119.81 36.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -56.83 156.52 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.83 -27.36 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -81.11 -16.67 52.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.87 -56.46 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 138.21 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -83.98 32.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 22.2 m-85 -139.56 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.11 133.37 44.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 17.5 m170 -118.68 92.5 44.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.0 Cg_endo -69.72 122.87 9.55 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 168.05 22.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -48.07 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.7 m -54.25 -41.51 68.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.68 125.0 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.28 147.63 50.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.64 132.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -86.32 167.11 15.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -52.17 107.09 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.58 20.65 18.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . 7.0 ttt85 -156.22 173.45 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 46' ' ' PRO . 11.2 p -150.46 137.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.89 134.66 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.54 147.71 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.67 144.88 45.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -77.57 -53.14 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.54 -51.62 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLY . 13.7 p -40.33 -47.06 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -41.54 -42.42 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -70.91 -31.63 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.45 -11.16 23.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -131.0 104.67 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.3 t -100.19 156.38 17.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.6 t -120.88 -48.04 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.8 mmt180 -34.49 115.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.53 -70.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -86.77 35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.2 t -38.2 115.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -87.93 36.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -139.61 138.41 36.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.3 tp -75.74 151.83 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 16.4 m170 -107.95 96.41 17.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.72 148.26 64.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.1 Cg_endo -69.78 174.08 10.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.5 m -63.37 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 48.9 p-80 -40.63 -41.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.3 mt -75.61 -55.71 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' LEU . 30.2 mtpt -33.0 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' LEU . 86.3 m -50.82 -52.38 41.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -43.48 -48.88 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -118.04 154.39 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 74.3 mt -146.78 147.96 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.88 137.9 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.49 135.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.8 117.99 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -55.2 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.481 ' CD ' HG23 ' A' ' 33' ' ' THR . 31.2 mm-40 -54.98 -42.96 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 46.4 t80 -53.7 -48.68 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.11 -50.39 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -71.08 -28.89 64.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.49 33.37 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' CD ' ' A' ' 28' ' ' GLN . 10.0 t -129.03 40.32 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.59 102.02 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 t -85.5 31.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -111.22 128.64 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 m -59.67 172.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.48 -30.57 66.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.62 3.2 42.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.63 -44.21 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.79 138.52 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -85.7 30.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -140.19 168.58 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.16 130.57 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.7 m170 -116.51 92.53 37.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.78 131.34 21.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.76 9.02 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -64.16 -38.85 92.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -64.36 -39.24 93.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -72.2 143.68 48.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -81.72 123.8 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -96.94 128.12 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.6 165.38 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -57.7 106.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.66 24.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -157.11 174.24 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -151.26 148.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 45.7 mt -92.0 133.93 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -87.61 125.67 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.41 148.13 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.06 -54.22 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -57.03 -50.34 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 p -42.98 -33.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.79 -44.58 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.97 -28.81 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.42 -12.59 25.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -130.98 105.77 7.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.18 146.14 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ARG . 73.5 m -108.84 -42.16 4.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' SER . 10.7 mmp_? -34.22 116.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.27 -74.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' CYS . 31.1 m-20 -87.5 33.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ASN . 45.8 t -35.97 125.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 7.53 46.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -104.62 136.13 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.675 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 16.6 tp -74.67 147.7 41.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 13.6 m170 -103.62 97.17 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.606 0.717 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.519 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.79 149.22 66.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.78 172.94 11.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.471 HG23 ' NZ ' ' A' ' 83' ' ' LYS . 19.1 m -69.67 -43.43 72.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.3 p-80 -56.99 -26.09 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.721 HD12 ' HD2' ' A' ' 79' ' ' PRO . 24.9 mt -91.34 -40.88 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.471 ' NZ ' HG23 ' A' ' 80' ' ' THR . 5.3 mtmp? -39.89 -37.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.6 m -49.82 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.506 ' CD ' ' CD2' ' A' ' 23' ' ' LEU . 3.6 pt20 -40.75 -31.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD11 ' A' ' 23' ' ' LEU . 27.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.859 0.362 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -123.23 162.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 80.4 mt -154.21 144.36 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -74.59 112.51 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 85.5 t -64.67 131.82 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ARG . 44.1 t -52.26 104.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.8 ptt180 -34.9 -59.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' PHE . 3.2 mm100 -51.82 -59.93 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' GLN . 40.0 t80 -35.42 -55.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.69 -49.14 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -77.8 -26.11 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.09 29.32 8.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.1 p -113.34 32.76 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -119.06 110.73 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -99.2 35.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -119.29 149.6 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -82.71 -176.3 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -77.39 -32.57 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 39' ' ' GLU . 1.4 tm-20 -81.77 -14.0 56.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -100.48 -55.28 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.75 134.77 52.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 11.0 ptmt -84.17 32.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 22.9 m-85 -139.41 168.37 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.97 134.25 43.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 m170 -118.45 92.76 44.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.82 129.98 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.22 19.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.223 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -59.42 -40.53 87.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.8 m -61.83 -42.69 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.5 m -73.14 136.36 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.64 135.7 48.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -111.48 125.89 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -84.93 160.72 20.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -53.18 107.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.36 16.29 27.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -154.81 171.22 19.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -147.72 144.95 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.7 mt -93.03 125.54 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.85 152.33 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.86 152.42 33.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.47 -54.91 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.03 -49.91 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 33.1 p -39.97 -38.05 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.92 -44.76 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.435 ' CD ' ' H ' ' A' ' 65' ' ' LYS . 8.2 mptt -66.15 -28.6 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.98 -15.7 21.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -130.49 110.44 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.09 150.07 22.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 34.9 m -106.03 -53.34 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 67.6 mtt-85 -35.12 122.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -95.06 39.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -38.68 115.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -86.91 35.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -138.84 139.21 38.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.9 tp -76.58 154.02 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 17.4 m170 -109.69 98.67 34.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.76 148.59 65.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.269 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.799 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.8 Cg_endo -69.81 171.47 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.258 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m -60.26 -62.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.0 p-80 -42.39 -25.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.799 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -93.41 -38.82 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -40.85 -44.56 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -52.62 -53.65 44.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.682 ' NE2' HD23 ' A' ' 82' ' ' LEU . 2.4 mp0 -43.33 -49.96 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 mt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -109.22 151.52 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -146.41 142.5 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.64 127.4 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.13 136.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.85 104.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.5 mtm-85 -37.49 -55.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -51.65 -55.73 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -45.58 -51.96 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -70.92 -29.86 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.17 31.43 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.6 p -116.41 20.27 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -102.13 106.92 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 p -99.32 37.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -117.22 132.52 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -62.38 178.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -66.66 -41.12 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -87.75 0.35 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -100.15 -38.51 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.96 144.36 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 29.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 44.2 m-85 -138.88 169.9 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.855 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -97.27 132.05 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -118.88 92.66 45.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.769 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.7 Cg_endo -69.77 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.15 19.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -57.17 -43.79 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 m -57.84 -41.71 82.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.0 134.96 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -68.6 135.99 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 46' ' ' PRO . 51.9 t -110.32 130.41 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 166.92 14.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -55.73 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.64 18.38 10.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.9 ttm105 -155.53 172.18 18.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.6 p -152.14 144.06 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.5 mt -88.59 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -98.87 134.22 42.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.5 146.74 53.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.79 -56.79 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.39 -53.06 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 p -38.66 -38.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.12 -46.26 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.66 -30.37 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.65 -12.98 25.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 17.1 mtm105 -130.92 104.99 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.22 153.64 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.3 p -108.61 -34.29 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -53.06 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -47.14 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' CYS . 16.0 p-10 -93.52 40.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 t -36.39 121.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -84.16 6.94 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.07 141.31 48.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.855 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.5 tp -73.61 147.33 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 19.2 m170 -105.75 100.33 26.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.77 149.18 66.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.836 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.79 170.04 17.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -65.32 -45.73 83.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.2 p-80 -57.06 -21.24 29.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.836 HD12 ' HD2' ' A' ' 79' ' ' PRO . 23.3 mt -96.21 -47.62 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.3 ttpt -35.88 -38.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.4 m -48.85 -48.38 41.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -48.34 -46.19 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 C--N 1.328 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.89 133.91 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -116.22 157.27 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.08 138.02 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 56' ' ' ARG . 96.8 t -85.84 143.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -70.27 108.07 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -54.05 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.86 -48.72 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.13 -54.25 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -47.87 -47.03 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.08 -32.71 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.43 37.41 3.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -134.11 39.17 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -116.67 93.63 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 m -87.49 38.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -117.18 133.77 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.438 ' N ' ' HB3' ' A' ' 40' ' ' GLU . 32.3 p -71.53 171.93 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.13 -40.24 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -89.64 1.93 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HB3' ' N ' ' A' ' 37' ' ' SER . 48.0 tt0 -100.82 -41.52 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.35 146.85 23.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -90.01 17.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CD1' ' HG3' ' A' ' 42' ' ' LYS . 29.8 m-85 -126.63 169.43 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.05 136.01 38.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 7.8 m170 -119.84 92.79 47.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.81 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.2 Cg_endo -69.78 130.06 18.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -50.97 -37.73 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 m -64.0 -36.15 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.3 m -81.73 142.13 32.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -73.45 167.08 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -141.3 126.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' ARG . 65.5 mm-40 -81.93 169.07 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -53.05 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.39 17.45 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' GLU . 10.5 ttm105 -155.94 170.02 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 46' ' ' PRO . 9.6 p -144.73 147.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -91.06 141.64 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 148.1 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.79 147.28 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -76.57 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -55.94 -51.87 66.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.9 p -39.84 -27.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.5 mt -61.86 -45.91 91.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -64.74 -28.73 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.07 -15.75 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -130.9 109.09 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -100.11 153.65 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ARG . 33.2 m -108.82 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.3 mtp180 -36.27 126.09 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -69.2 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' CYS . 5.3 m120 -90.38 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.7 t -36.13 109.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -71.2 -15.07 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.83 134.25 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.6 tp -77.4 149.69 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 10.7 m170 -100.25 99.85 10.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.705 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.3 Cg_endo -69.74 149.56 67.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.74 171.85 13.7 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' LEU . 5.6 m -60.25 -67.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 79' ' ' PRO . 49.4 p-80 -37.3 -32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.9 mt -82.61 -49.87 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -43.15 -42.39 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.2 m -51.4 -48.79 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -46.84 -49.84 19.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 42.1 t -162.06 132.18 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -78.39 145.15 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -46.04 111.14 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -125.99 127.11 45.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.0 p -129.88 121.36 26.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 49.41 74.58 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.448 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -173.99 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.243 . . . . 0.0 112.381 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.03 140.57 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -41.7 150.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -104.34 -56.06 2.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.9 p -88.31 80.67 7.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -93.85 -42.98 8.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 16.0 p-90 -99.17 28.64 4.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.9 mt -134.42 37.93 3.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 p -123.71 154.03 40.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.3 mt -148.88 138.53 21.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -66.77 110.71 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -59.53 130.75 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.441 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 47.6 t -50.72 119.48 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 -54.24 -54.47 39.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -53.73 -50.99 64.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -43.82 -52.04 6.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -54.33 -55.25 30.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -61.48 -28.51 69.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.53 36.64 5.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -131.09 35.8 3.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.175 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 22.4 t -116.76 93.13 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.3 m -84.35 29.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -115.69 128.25 55.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 p -63.89 -175.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.13 -33.68 61.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -83.64 -9.33 58.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -100.45 -52.24 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.2 t -74.46 139.25 43.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.7 pttt -83.4 35.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 84.5 m-85 -139.98 170.25 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.01 126.53 46.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -114.58 92.42 28.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.59 0.71 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.76 137.9 36.54 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.628 2.219 . . . . 0.0 112.357 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 178.53 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.326 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -69.04 -39.24 79.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.4 p -63.86 -43.23 96.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.4 m -67.5 130.06 41.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -70.81 125.01 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 75.9 t -98.72 132.17 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.083 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -82.79 163.59 21.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -54.71 106.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 56.75 16.59 17.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -156.0 166.32 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.7 p -145.24 142.01 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.157 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.1 mt -89.97 133.17 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.99 136.97 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.9 t -58.09 153.64 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -85.09 -60.56 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.09 -42.08 65.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.4 p -45.87 -47.75 16.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.6 mt -47.46 -34.97 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -72.65 -28.74 62.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.73 -15.69 26.46 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.61 105.99 8.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.1 t -99.91 152.18 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.9 t -115.58 -43.9 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 44.7 mtt-85 -36.33 110.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -59.37 -59.61 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 73' ' ' CYS . 33.9 p-10 -96.27 35.95 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.5 t -35.25 124.42 0.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -87.68 -21.08 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -89.36 142.57 27.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.8 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -81.78 153.71 26.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.443 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 5.5 m170 -103.75 98.83 13.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.549 0.69 . . . . 0.0 110.921 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.71 148.88 66.34 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.722 2.282 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.897 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.2 Cg_endo -69.76 164.5 34.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.365 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.3 m -57.03 -57.57 11.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.175 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.7 p-80 -46.18 -20.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.897 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.0 mt -96.79 -38.0 10.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -43.11 -43.78 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 20.2 m -49.71 -53.02 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.73 ' HA ' HD12 ' A' ' 88' ' ' ILE . 10.9 mt-30 -40.75 -53.58 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.4 mt -47.38 -38.55 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -72.14 -47.98 46.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 85' ' ' GLN . 85.2 mt -41.57 -45.81 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' SER . 5.7 m120 57.54 48.43 14.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' ASN . 31.2 t -36.26 122.49 0.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.81 85.15 0.34 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 151.15 69.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.381 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.2 t -83.26 123.84 29.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -98.19 41.94 1.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.453 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 t -117.74 81.58 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.3 p -152.48 127.63 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -136.45 -127.14 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.6 t -123.09 108.04 12.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.5 t -133.8 133.65 41.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.97 -95.62 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 100.19 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.8 t -137.01 133.48 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -94.33 141.74 28.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -157.97 116.39 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.792 HG23 HD12 ' A' ' 21' ' ' LEU . 11.6 m 57.43 41.68 25.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.494 ' O ' HG23 ' A' ' 22' ' ' THR . 38.2 tptt -85.29 -44.29 12.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.525 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 6.3 p-90 -49.54 -38.8 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.792 HD12 HG23 ' A' ' 18' ' ' THR . 40.9 mt -68.89 87.72 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 19' ' ' LYS . 17.0 p -138.98 151.54 46.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 ' O ' HG12 ' A' ' 57' ' ' VAL . 28.4 mt -152.61 141.94 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -66.57 125.49 25.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 95.4 t -81.2 129.22 37.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.7 t -55.13 121.75 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -56.07 -62.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -47.87 -45.05 29.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 37.2 t80 -48.14 -51.42 24.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -49.93 -58.48 5.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtt85 -67.64 -22.9 65.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.93 30.09 10.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.4 p -118.13 34.46 5.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.88 0.372 . . . . 0.0 111.17 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.8 t -107.56 101.56 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -86.92 23.75 1.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -111.05 126.7 55.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -58.15 -175.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -84.32 -32.27 24.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -88.43 -9.78 51.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -102.76 -56.19 2.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.4 t -55.49 139.3 44.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.542 ' HE2' ' CE1' ' A' ' 43' ' ' PHE . 17.1 pttt -84.26 29.03 0.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CE1' ' HE2' ' A' ' 42' ' ' LYS . 69.0 m-85 -139.37 162.79 34.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.668 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.34 135.37 40.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.3 m170 -118.25 91.74 41.32 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.702 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.77 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.75 143.37 50.66 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.676 2.251 . . . . 0.0 112.319 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 178.85 4.17 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.707 2.271 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.6 tttp -68.71 -33.47 73.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.8 m -77.91 7.11 6.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 76' ' ' LEU . 2.0 t -100.33 142.02 32.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -87.17 109.13 19.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.1 t -87.65 128.58 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 56' ' ' ARG . 11.6 mt-10 -89.72 169.23 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -51.84 106.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.97 22.0 18.75 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLU . 6.6 ttm180 -157.15 171.17 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.922 0.391 . . . . 0.0 110.835 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 23' ' ' LEU . 9.6 p -142.59 140.93 28.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 21' ' ' LEU . 67.1 mt -89.05 129.16 40.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.05 162.49 20.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 29.1 t -85.0 155.18 21.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -88.93 -56.57 3.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.5 -47.6 78.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.506 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 23.4 p -42.95 -37.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD23 ' HD3' ' A' ' 83' ' ' LYS . 22.9 mt -53.35 -41.24 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.952 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -68.83 -28.19 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.22 -13.52 26.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -131.0 107.79 9.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.5 t -99.89 146.32 26.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.462 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.4 m -106.56 -56.69 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' C ' ' O ' ' A' ' 69' ' ' SER . 47.3 mmt-85 -33.3 113.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.841 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.85 -71.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -83.25 37.58 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 48.6 t -45.58 111.95 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -85.09 33.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -129.78 132.17 46.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.77 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.2 tp -75.58 147.56 39.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 10.1 m170 -104.28 96.91 10.62 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 110.83 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.73 152.13 69.42 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.841 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.83 172.07 13.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.726 2.284 . . . . 0.0 112.311 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.3 m -66.87 -39.99 87.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.7 p-80 -64.01 -20.53 65.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.841 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -96.31 -49.19 5.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD23 ' A' ' 64' ' ' LEU . 18.0 mtmt -43.46 -26.25 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.2 m -62.57 -41.75 99.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.458 ' HA ' HD12 ' A' ' 88' ' ' ILE . 31.2 mt-30 -53.87 -23.85 13.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 46.0 mt -75.86 -58.65 3.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 19.2 pt-20 -58.12 -35.44 71.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 85' ' ' GLN . 47.7 mt -50.46 -42.34 21.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -38.7 142.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 83.1 p -113.61 162.95 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.807 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.16 170.65 54.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.504 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.81 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.328 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t 49.18 42.31 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -59.44 110.39 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.089 -0.84 . . . . 0.0 112.465 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 m -47.47 131.41 13.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 t -76.88 98.36 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.75 -107.74 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.9 m -66.44 -59.91 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.379 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 t -86.51 145.98 26.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.7 137.92 7.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.78 3.03 3.02 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.328 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' PRO . 9.8 p -35.88 143.97 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 15' ' ' VAL . 19.3 ttm180 -37.13 142.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.18 158.04 34.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.4 p -117.27 43.55 2.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.98 -48.4 53.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 22.6 p-90 -76.19 -10.25 59.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.4 36.4 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.722 HG22 ' HG2' ' A' ' 56' ' ' ARG . 1.2 m -124.13 137.93 54.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.7 mt -119.15 163.79 16.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.42 142.17 31.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.8 t -86.15 143.3 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' ARG . 43.1 t -69.89 105.6 2.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.2 tpp85 -35.93 -63.23 0.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' PHE . 23.6 mt-30 -47.42 -61.01 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 28' ' ' GLN . 25.7 t80 -35.83 -48.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -51.63 -59.85 3.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.915 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -65.45 -24.71 67.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.29 30.58 7.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -113.37 29.54 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 41.8 t -120.21 128.54 53.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -122.37 27.11 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -109.44 141.08 42.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.0 t -80.9 162.49 23.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.17 -26.14 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -80.68 -21.49 41.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -99.87 -59.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.39 133.52 52.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -83.96 33.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.409 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 90.4 m-85 -137.38 168.17 20.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.649 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.93 126.76 46.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.8 m170 -111.52 92.58 16.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.609 0.719 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.808 ' HA ' HD13 ' A' ' 76' ' ' LEU . 52.8 Cg_endo -69.84 129.46 17.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.89 11.79 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -61.7 -45.67 92.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.2 p -58.86 -40.23 83.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 54.9 m -74.04 128.86 36.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.818 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.407 ' OE1' ' N ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -68.71 128.78 37.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' N ' ' OE1' ' A' ' 51' ' ' GLN . 60.1 t -100.23 132.25 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 56' ' ' ARG . 15.8 mt-10 -90.17 168.44 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -53.86 106.72 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.78 17.46 6.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 22' ' ' THR . 12.1 ttp180 -155.44 170.71 21.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.749 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -149.46 137.98 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 49.7 mt -84.07 137.04 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.88 155.76 18.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.0 t -82.74 145.92 29.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -73.13 -58.29 3.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -53.85 -52.91 58.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.474 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 57.0 p -39.46 -34.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.3 mt -52.1 -46.02 65.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -29.95 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.84 -11.38 22.95 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -130.77 105.89 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.6 t -100.1 156.16 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 70' ' ' ARG . 81.7 p -107.42 -56.0 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' SER . 54.3 mmt-85 -35.38 122.8 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -61.98 -74.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 73' ' ' CYS . 40.4 t30 -89.19 38.97 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -35.34 117.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -84.14 36.48 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -136.91 140.8 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.808 HD13 ' HA ' ' A' ' 46' ' ' PRO . 18.5 tp -76.94 145.42 38.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 21.9 m170 -105.35 97.83 14.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.585 0.707 . . . . 0.0 110.891 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.4 Cg_endo -69.68 146.77 61.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.397 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.871 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.64 12.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' HIS . 5.8 m -59.29 -68.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.61 ' CD2' ' HG ' ' A' ' 82' ' ' LEU . 43.8 p-80 -36.17 -39.13 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.871 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -76.91 -46.26 24.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' THR . 29.5 mtpt -41.94 -50.0 4.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 51.9 m -54.0 -35.03 61.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.462 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.4 tt0 -57.79 -38.58 75.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.3 mt -56.6 -40.3 75.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -69.48 -45.19 69.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 85' ' ' GLN . 78.3 mt -40.73 -43.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 88' ' ' ILE . 2.2 p-10 -36.93 -44.57 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.404 ' N ' ' OD1' ' A' ' 89' ' ' ASN . 49.2 m -89.49 138.75 31.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.82 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.98 -168.03 23.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 148.08 64.1 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.652 2.234 . . . . 0.0 112.319 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.5 m -57.88 151.59 17.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.8 t 49.88 42.32 23.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.1 p -135.25 114.03 11.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -164.46 118.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.53 153.92 7.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 71.4 p -102.09 43.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 110.872 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -64.88 -53.32 48.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.81 141.01 16.05 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 124.23 10.91 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.728 2.286 . . . . 0.0 112.376 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.4 t -112.7 137.08 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -128.88 87.95 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -53.76 151.19 6.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.942 HG21 HG23 ' A' ' 58' ' ' ILE . 37.3 m -83.17 74.87 9.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -100.82 -39.97 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.475 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 32.2 p-90 -84.94 -13.04 52.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.93 ' HB2' HG23 ' A' ' 18' ' ' THR . 47.8 mt -98.65 40.65 1.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.965 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -118.56 153.12 34.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.182 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 mt -136.19 146.3 46.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -75.5 118.24 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.48 140.32 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.081 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 43.2 t -67.8 107.9 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -39.16 -61.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 16.6 mp0 -49.97 -57.48 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 31.9 t80 -37.88 -54.16 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -48.78 -58.24 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -62.61 -28.46 69.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.63 20.62 21.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.4 p -106.57 28.68 7.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.836 0.35 . . . . 0.0 111.14 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.2 t -117.87 106.75 13.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -101.57 30.81 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -108.32 126.78 53.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -58.25 -178.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.66 -31.2 59.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -85.24 -5.27 59.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -104.87 -51.45 3.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.9 t -74.25 135.54 42.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.426 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 28.5 pttt -85.57 34.38 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.429 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 92.3 m-85 -139.91 167.4 22.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.12 129.66 46.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.0 m170 -115.87 92.53 34.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.598 0.713 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.788 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.82 135.09 29.44 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 175.08 8.58 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.694 2.262 . . . . 0.0 112.379 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -64.0 -50.24 69.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 84.8 p -51.33 -34.88 35.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 43.3 m -84.16 133.75 34.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -72.72 150.07 43.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 98.1 t -122.71 129.07 75.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -84.14 165.74 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -52.39 106.76 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.91 23.29 22.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -156.17 174.05 15.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 46' ' ' PRO . 12.6 p -157.15 148.66 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.942 HG23 HG21 ' A' ' 18' ' ' THR . 67.5 mt -89.52 133.18 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.93 130.69 36.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.07 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 45.1 t -59.39 146.36 40.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 5.4 t80 -84.21 -54.68 4.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.33 -48.62 73.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.458 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 49.0 p -43.95 -36.05 2.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.1 mt -50.15 -42.79 51.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.59 -10.39 32.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -130.99 108.73 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 44.7 t -97.43 152.73 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.8 m -112.56 -54.79 2.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 69' ' ' SER . 15.1 mtp180 -33.24 116.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -56.46 -72.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 73' ' ' CYS . 24.0 m-80 -87.09 33.15 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 72' ' ' ASN . 38.8 t -34.22 111.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -88.65 33.6 0.77 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -131.38 133.48 45.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.4 tp -73.77 151.47 40.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.476 ' H ' HD12 ' A' ' 76' ' ' LEU . 21.4 m170 -107.8 97.38 20.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.601 0.715 . . . . 0.0 110.832 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.8 Cg_endo -69.76 147.73 63.55 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.839 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.4 Cg_endo -69.81 172.01 13.48 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.3 m -58.1 -65.11 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.685 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 56.6 p-80 -40.57 -29.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.839 HD12 ' HD2' ' A' ' 79' ' ' PRO . 21.3 mt -89.26 -35.52 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' THR . 4.4 mtmp? -47.06 -28.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.504 HG22 HD11 ' A' ' 88' ' ' ILE . 18.0 m -63.19 -56.98 12.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -39.85 -40.59 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 21' ' ' LEU . 60.3 mt -58.89 -56.12 26.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -65.76 -24.16 66.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.504 HD11 HG22 ' A' ' 84' ' ' THR . 55.4 mt -72.11 -39.88 66.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -39.37 111.28 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.0 m -54.72 131.51 43.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.22 -97.02 0.17 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -21.03 33.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.9 t -170.67 130.13 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.6 p -123.95 42.02 3.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.445 179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m 54.39 41.71 31.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.885 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.1 m -123.17 160.54 26.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.75 107.3 1.22 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -152.89 163.34 39.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.846 0.355 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 p -169.32 157.62 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.92 -178.83 37.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -178.3 2.26 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -156.77 128.37 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 18' ' ' THR . 32.5 mtp85 -94.72 88.46 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.8 98.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 16' ' ' ARG . 73.2 p -102.68 38.17 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -63.04 -27.25 69.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.424 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 38.2 p-90 -106.74 -7.57 17.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 36.9 mt -103.04 44.54 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.53 152.72 48.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.2 mt -145.46 140.87 27.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.32 114.45 5.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 HG22 ' CG1' ' A' ' 57' ' ' VAL . 46.4 t -65.59 141.75 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.481 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 44.9 t -57.41 109.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.88 -36.67 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.867 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.579 ' NE2' HH21 ' A' ' 31' ' ' ARG . 53.3 mm-40 -70.83 -54.76 10.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 38.1 t80 -41.42 -55.37 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.51 -52.7 7.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.579 HH21 ' NE2' ' A' ' 28' ' ' GLN . 40.6 mtm180 -68.71 -25.09 64.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 86.74 37.82 8.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.529 HG23 ' OE1' ' A' ' 28' ' ' GLN . 7.4 t -129.28 30.18 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.2 t -106.55 114.02 27.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.7 m -95.88 29.98 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.82 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.8 mtt180 -118.04 146.13 44.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.1 m -78.89 -176.51 5.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.41 -34.61 47.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 39' ' ' GLU . 6.8 tm-20 -83.44 -11.15 57.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.87 -53.37 3.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.8 t -62.73 149.5 43.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.541 ' O ' HD21 ' A' ' 82' ' ' LEU . 13.0 mmmt -82.74 -1.29 51.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.481 ' CD2' ' HA ' ' A' ' 26' ' ' CYS . 5.1 m-85 -120.79 167.39 12.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.001 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.82 146.44 26.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 3.5 m170 -124.49 92.74 47.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.625 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.82 133.16 24.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.07 61.6 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -44.21 -47.76 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 23.8 p -56.1 -36.61 68.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 35.3 m -78.04 134.43 37.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -74.85 151.42 39.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.0 t -134.04 131.94 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -84.71 168.39 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -51.98 108.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.57 22.88 26.21 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -157.08 172.75 18.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.878 0.37 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' HG22 ' A' ' 25' ' ' VAL . 9.1 p -153.24 143.28 14.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 HG21 HG21 ' A' ' 18' ' ' THR . 45.7 mt -86.95 136.87 21.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.05 153.44 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.6 t -76.91 155.14 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -85.51 -56.69 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.813 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -56.87 -51.17 70.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 66' ' ' GLY . 15.0 p -39.02 -45.84 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -44.05 -44.35 7.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -67.47 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 112.59 -12.75 25.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.45 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.86 104.89 7.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.82 0.343 . . . . 0.0 110.842 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.48 152.12 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 25.4 m -109.99 -51.36 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 22.8 mmt180 -35.62 99.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -46.8 -65.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' CYS . 18.3 p30 -92.96 36.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 18.0 t -35.05 130.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -90.92 -13.74 32.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -92.11 137.15 32.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.001 HD21 ' HB1' ' A' ' 44' ' ' ALA . 13.3 tp -75.36 148.18 39.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.472 ' H ' HD12 ' A' ' 76' ' ' LEU . 6.4 m170 -102.63 96.8 7.97 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.659 0.742 . . . . 0.0 110.9 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.73 146.92 61.86 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.853 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.76 172.19 13.08 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 83' ' ' LYS . 28.1 m -58.27 -70.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 79' ' ' PRO . 46.5 p-80 -35.87 -39.36 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.853 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.9 mt -75.95 -43.26 45.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 80' ' ' THR . 12.1 ttpp -38.14 -54.03 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 m -39.03 -46.42 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -48.86 -48.12 42.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -49.62 -42.55 45.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -72.48 -51.37 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 89' ' ' ASN . 64.9 mt -38.39 -37.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' ILE . 25.3 t30 -35.63 -45.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.4 p -62.87 118.37 7.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.32 142.78 39.12 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -172.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.73 2.286 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.2 p -55.12 129.72 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t 42.01 41.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.485 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.2 m -65.22 128.84 37.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -79.13 104.46 9.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.75 133.59 4.01 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.5 m -44.46 137.66 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -91.91 41.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.35 179.98 0.76 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 175.11 8.52 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.09 148.19 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -86.78 44.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -104.6 39.61 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.406 HG21 HG21 ' A' ' 58' ' ' ILE . 0.9 OUTLIER -109.15 50.2 0.79 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -95.26 -37.17 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 20.1 p-90 -97.19 26.09 5.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' HD22 ' A' ' 86' ' ' LEU . 27.3 mt -132.1 45.62 2.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.652 HG21 ' HE ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -134.32 155.95 49.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.143 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.4 mt -146.19 142.35 28.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -65.69 116.1 6.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.05 128.52 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 53.5 t -48.19 110.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -43.34 -58.51 2.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -50.74 -53.87 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -42.44 -52.23 4.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -48.29 -49.64 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -74.45 -25.63 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.3 21.37 25.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -112.28 39.24 2.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.129 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -118.66 105.22 11.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 t -98.82 30.9 3.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -115.36 140.16 49.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -75.2 -177.96 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -77.87 -32.23 51.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -77.11 -18.99 57.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -101.01 -55.8 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.44 132.02 47.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.483 ' C ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -83.8 32.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 42' ' ' LYS . 2.9 m-85 -137.75 163.13 32.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.09 135.05 41.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -118.23 92.32 42.56 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.609 0.718 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.706 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.9 Cg_endo -69.72 122.05 8.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.745 2.297 . . . . 0.0 112.326 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 176.02 7.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -59.86 -48.52 81.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 m -55.72 -37.38 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 93.3 m -83.22 137.36 34.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.75 156.39 39.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -132.3 123.39 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -88.06 165.23 15.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -53.86 106.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.87 21.03 15.11 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.509 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.652 ' HE ' HG21 ' A' ' 22' ' ' THR . 10.3 ttp180 -155.34 167.88 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.9 p -151.88 139.21 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 HG21 ' A' ' 18' ' ' THR . 43.5 mt -84.79 133.4 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.89 131.09 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.057 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -59.41 139.48 57.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -70.61 -61.5 1.75 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.93 -51.01 44.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.8 p -40.29 -46.72 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.4 mt -46.65 -40.97 14.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -67.57 -29.74 69.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.25 -15.04 25.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.468 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -130.82 107.36 9.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 51.2 t -100.25 153.03 19.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 41.2 t -114.03 -53.07 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.7 mtp180 -34.7 109.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -90.82 41.4 1.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 49.1 t -42.64 116.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -87.54 37.14 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -141.05 137.6 33.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.706 HD13 ' HA ' ' A' ' 46' ' ' PRO . 14.6 tp -76.79 151.06 36.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.8 m170 -106.53 95.34 11.65 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.5 Cg_endo -69.74 151.67 69.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.679 2.252 . . . . 0.0 112.367 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.828 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.4 Cg_endo -69.69 172.31 12.81 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.697 2.265 . . . . 0.0 112.409 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' LYS . 7.5 m -51.18 -69.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.144 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.653 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.3 p-80 -39.83 -49.29 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.828 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.1 mt -67.08 -29.8 69.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' THR . 7.5 ttpp -70.79 -42.4 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 11.2 m -59.62 -37.8 79.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.756 ' HA ' HD12 ' A' ' 88' ' ' ILE . 35.2 mt-30 -61.39 -21.81 64.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 21' ' ' LEU . 55.2 mt -79.95 -58.26 3.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 12.3 pt-20 -48.62 -36.31 15.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 85' ' ' GLN . 61.7 mt -56.8 -40.04 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 63.37 46.58 4.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.0 p -106.02 127.49 53.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -137.1 154.74 22.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 145.93 58.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.703 2.268 . . . . 0.0 112.329 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.68 153.37 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.3 t -136.52 113.43 10.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.487 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 96.8 p -81.49 -44.51 17.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.4 m 52.58 49.54 20.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.882 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.95 132.86 0.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.2 t -88.09 86.89 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.922 0.392 . . . . 0.0 110.907 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.0 t -154.99 118.14 4.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.67 78.49 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -12.3 32.51 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -136.38 134.27 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 33.7 ptt85 -124.38 -41.38 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 7.1 m-20 -65.91 130.89 44.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 22' ' ' THR . 22.8 p -81.62 53.68 2.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.57 -29.61 61.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.504 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 30.6 p-90 -99.15 -18.4 17.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 34.0 mt -93.36 37.58 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.637 HG23 ' O ' ' A' ' 18' ' ' THR . 7.0 p -116.55 156.24 27.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.487 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 34.3 mt -147.42 148.21 31.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -74.83 124.61 27.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.5 t -70.66 135.25 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.5 t -45.11 121.38 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -48.61 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -51.0 -56.33 12.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -39.81 -55.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -45.13 -46.16 11.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -75.9 -32.08 59.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.3 6.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -123.59 37.1 4.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -120.85 109.54 15.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.8 m -99.78 33.11 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -117.58 135.18 54.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.4 m -68.35 179.97 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.77 -29.51 56.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -81.96 -15.61 53.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -100.25 -55.22 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.9 t -65.4 143.44 57.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HE2' ' CE2' ' A' ' 43' ' ' PHE . 22.8 pttt -84.11 27.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.523 ' CE2' ' HE2' ' A' ' 42' ' ' LYS . 89.1 m-85 -139.96 170.1 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.028 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 132.75 45.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -117.59 92.48 41.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.759 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.78 118.86 5.94 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 165.97 29.24 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.654 2.236 . . . . 0.0 112.363 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -34.89 61.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.7 p -65.12 -27.87 69.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.9 m -90.8 140.01 30.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.84 121.6 24.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 84.0 t -99.8 131.62 46.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.1 tm-20 -88.87 168.66 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.16 108.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 17.66 8.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' GLU . 21.4 ttt180 -157.1 164.79 37.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 46' ' ' PRO . 15.0 p -140.49 136.72 36.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 55.0 mt -83.92 127.69 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.5 155.04 27.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.7 t -81.76 158.24 24.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -83.95 -59.62 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -54.4 -49.76 69.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' CG ' ' A' ' 77' ' ' HIS . 60.8 p -39.03 -44.59 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.7 mt -44.96 -43.87 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -66.78 -30.22 70.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.87 21.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 107.62 9.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.803 0.335 . . . . 0.0 110.845 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.0 t -100.25 144.33 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.457 ' O ' ' C ' ' A' ' 70' ' ' ARG . 72.6 m -96.82 -55.57 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 69' ' ' SER . 7.9 mtp85 -33.89 123.24 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.3 -65.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -91.76 36.49 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.2 t -43.39 114.11 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -84.28 34.76 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -129.22 142.69 50.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.028 HD21 ' HB1' ' A' ' 44' ' ' ALA . 24.4 tp -80.63 145.89 31.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 18.0 m170 -107.1 101.28 37.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.487 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.7 Cg_endo -69.69 145.33 57.19 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.342 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.811 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.8 172.55 12.47 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.9 m -64.48 -46.06 84.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.699 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 35.7 p-80 -57.24 -30.71 64.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.811 HD12 ' HD2' ' A' ' 79' ' ' PRO . 22.8 mt -86.17 -41.38 14.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 82' ' ' LEU . 37.9 mttt -35.32 -44.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -42.93 -59.02 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 88' ' ' ILE . 20.4 mp0 -41.93 -53.66 3.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.8 mt -51.02 -56.92 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -51.11 -56.03 14.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 85' ' ' GLN . 82.8 mt -40.76 -40.8 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 64.63 44.74 3.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.2 t -150.17 112.0 4.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -92.38 -151.25 27.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 85.51 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.688 2.258 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 t 52.53 41.65 31.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 84.4 p -109.96 166.21 11.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.494 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -129.51 42.09 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.859 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -86.43 42.25 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.54 117.75 2.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 m -76.34 168.19 20.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.818 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.6 m 58.26 41.7 23.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.38 69.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.463 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -33.55 16.22 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.312 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 90.0 t -99.29 100.8 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -94.97 -53.6 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 37.77 42.73 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.8 p 46.5 46.32 14.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -93.2 -41.01 10.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.4 p-90 -87.22 -2.57 58.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.7 mt -106.57 35.32 3.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -109.57 157.04 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.5 mt -148.57 143.77 26.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.2 132.89 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.445 HG22 HG12 ' A' ' 57' ' ' VAL . 58.2 t -87.27 127.87 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.4 t -55.01 105.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -44.21 -53.71 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.81 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' PHE . 62.1 mt-30 -51.91 -56.87 11.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 17.6 t80 -38.36 -54.41 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -45.74 -51.41 12.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -75.03 -23.59 58.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 90.25 31.59 10.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.3 p -117.91 31.99 6.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 111.116 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.9 t -106.53 99.52 9.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 t -85.04 26.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -108.04 129.42 55.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.2 m -55.02 175.83 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -75.23 -32.61 61.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -97.14 -0.32 47.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -100.3 -46.93 5.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.89 143.97 56.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -90.11 28.06 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -140.02 165.08 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 1.035 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.37 142.67 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 14.1 m170 -119.94 92.61 46.95 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.598 0.713 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.557 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.2 Cg_endo -69.73 122.5 9.19 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 0.0 112.375 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 155.48 66.0 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.674 2.249 . . . . 0.0 112.386 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -44.98 -45.38 10.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.8 m -55.85 -41.56 74.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.5 m -75.57 137.82 41.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -70.15 130.24 41.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.34 131.48 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -90.16 162.46 15.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -53.29 107.43 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.56 16.18 10.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.2 ttm105 -156.17 167.93 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.557 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.4 p -146.81 140.56 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.1 mt -86.31 133.73 29.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.39 159.07 23.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.9 t -87.29 148.8 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -77.21 -60.91 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -52.24 -49.27 64.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' GLY . 54.8 p -40.53 -46.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.804 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 45.6 mt -44.64 -40.97 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -69.06 -30.22 68.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.06 -14.83 23.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.51 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -130.82 106.66 8.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 52.1 t -99.6 150.04 22.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -103.31 -58.76 1.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.827 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 24.2 mtp180 -35.16 114.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -63.3 -64.09 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 73' ' ' CYS . 52.7 p-10 -87.26 29.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ASN . 11.9 t -35.55 114.66 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.49 ' HG3' ' CE1' ' A' ' 75' ' ' TYR . 10.1 ptpp? -83.23 36.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.49 ' CE1' ' HG3' ' A' ' 74' ' ' LYS . 12.7 m-85 -136.88 147.3 46.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 1.035 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.9 tp -85.64 148.11 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.469 ' H ' HD12 ' A' ' 76' ' ' LEU . 20.5 m170 -107.17 99.31 26.4 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.582 0.706 . . . . 0.0 110.874 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.6 Cg_endo -69.78 146.73 60.96 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.725 2.284 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.883 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.7 Cg_endo -69.75 172.63 12.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.705 2.27 . . . . 0.0 112.351 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.7 m -65.74 -51.24 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 38.9 p-80 -50.46 -22.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.883 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.6 mt -95.68 -39.13 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -39.9 -43.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 57.3 m -48.67 -51.27 29.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -46.46 -50.22 17.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.1 mt -44.7 -51.63 9.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -52.45 -54.81 27.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 54.4 mt -57.54 -64.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.28 95.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.1 p -118.82 -44.72 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.32 85.71 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.436 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -25.84 28.07 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.318 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.8 t -79.68 137.01 36.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.2 p -78.21 114.9 17.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.497 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -105.7 116.12 31.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 m -131.34 142.6 50.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.03 49.93 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.9 m -83.44 48.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 0.0 110.891 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.6 m -120.84 141.61 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.72 -132.09 7.45 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 176.24 7.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 HG23 ' HG2' ' A' ' 16' ' ' ARG . 33.1 m -94.66 -32.36 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.535 ' HG2' HG23 ' A' ' 15' ' ' VAL . 39.4 ptt85 -164.76 128.77 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -123.93 -54.62 1.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.4 m -126.08 43.85 2.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -101.28 -37.56 8.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -89.41 -6.28 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.4 mt -105.71 40.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 p -117.15 162.83 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' HG12 ' A' ' 57' ' ' VAL . 32.0 mt -151.26 143.41 24.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -66.14 137.86 57.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.5 t -89.17 135.46 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 52.4 t -70.31 104.7 2.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -40.26 -61.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 29' ' ' PHE . 2.3 mp0 -46.58 -61.27 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.533 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 26.7 t80 -35.5 -50.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -49.89 -58.51 5.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -66.36 -23.44 66.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.96 23.15 18.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 26.3 p -108.03 29.86 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.858 0.361 . . . . 0.0 111.141 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.1 t -113.26 95.63 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.9 m -87.66 35.19 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.5 mtt180 -118.5 143.53 46.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -75.25 -178.06 3.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -73.65 -36.26 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' HA ' ' CE1' ' A' ' 81' ' ' HIS . 11.5 pt-20 -87.94 -4.19 58.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -100.81 -49.67 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.4 t -78.29 138.15 38.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.8 mtmm -83.53 33.3 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 41.9 m-85 -140.28 166.39 24.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -99.93 132.56 45.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.533 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 6.0 m170 -120.16 92.5 47.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.745 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 139.79 41.26 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.85 26.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.737 2.291 . . . . 0.0 112.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -56.57 -37.61 70.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.9 m -65.09 -41.21 95.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.5 m -71.54 132.01 44.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.7 tp60 -77.78 134.86 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.92 138.86 27.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 56' ' ' ARG . 6.9 tm-20 -92.22 167.03 12.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -52.28 107.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.42 11.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' GLU . 19.4 ttm180 -156.02 163.87 39.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.438 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.9 p -139.98 146.79 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.9 mt -91.91 140.61 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.59 156.97 16.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.094 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.3 t -86.65 148.65 25.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -78.17 -54.14 6.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.97 -51.53 68.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 53.5 p -40.09 -29.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 71.1 mt -59.45 -45.31 91.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.92 -28.7 69.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.76 -14.61 22.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -130.86 106.92 8.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 54.0 t -100.11 153.42 19.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 70' ' ' ARG . 6.6 t -112.42 -41.7 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.9 mmt-85 -38.17 100.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -48.87 -61.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 73' ' ' CYS . 1.1 m120 -99.61 41.71 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.4 t -34.1 134.8 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.6 ' HD3' ' CE1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -97.8 0.16 46.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.6 ' CE1' ' HD3' ' A' ' 74' ' ' LYS . 21.7 m-30 -115.37 148.16 39.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.4 tp -79.05 156.85 28.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 20.2 m170 -108.02 95.52 15.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.78 146.46 60.14 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.356 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.842 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.77 172.32 12.87 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.739 2.293 . . . . 0.0 112.313 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 m -65.71 -50.22 65.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.695 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 47.1 p-80 -52.26 -21.55 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.842 HD12 ' HD2' ' A' ' 79' ' ' PRO . 16.4 mt -95.47 -49.46 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' LEU . 4.9 ttpp -34.16 -47.62 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.1 m -42.86 -51.07 5.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.629 ' HA ' HD12 ' A' ' 88' ' ' ILE . 13.9 mm-40 -44.63 -45.1 9.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.67 -40.07 86.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.81 -51.03 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 85' ' ' GLN . 82.7 mt -39.53 -44.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ILE . 2.2 t-20 -35.76 103.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -129.16 100.97 5.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 177.37 89.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 90.6 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.5 p -73.83 -43.52 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.8 m -56.18 -51.64 67.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.471 -179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 m -131.39 167.91 18.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' GLY . 24.4 m -44.37 -43.59 7.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' SER . . . -35.78 123.0 0.67 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.542 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.4 m -143.13 154.0 43.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 m -125.13 151.22 46.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.14 -151.31 11.51 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 172.45 12.64 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.702 2.268 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' ARG . 27.7 m -74.98 -43.29 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' VAL . 2.6 tpt180 -119.11 87.81 2.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.42 132.75 35.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 21' ' ' LEU . 20.1 p -82.37 49.92 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.129 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -79.11 -40.11 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -90.7 19.16 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 18' ' ' THR . 25.1 mt -120.42 39.63 3.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.2 p -112.69 148.29 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 86' ' ' LEU . 25.4 mt -144.24 141.09 29.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.39 124.69 23.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.2 t -76.15 140.86 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 27' ' ' ARG . 52.8 t -61.94 104.3 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 26' ' ' CYS . 21.4 ttp-105 -36.84 -56.6 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 29' ' ' PHE . 51.3 mm-40 -52.98 -58.15 7.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 44.7 t80 -38.04 -55.4 1.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -43.22 -49.56 6.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 -72.37 -33.18 67.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 99.11 38.7 3.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -132.48 37.5 3.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.791 0.329 . . . . 0.0 111.135 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.1 t -112.3 116.65 30.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -94.75 35.02 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -119.88 137.52 53.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -69.65 -178.96 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -74.67 -33.05 62.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -100.64 2.9 42.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -103.41 -48.32 4.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 t -67.24 154.42 41.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.98 -7.97 59.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.48 167.64 11.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.83 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.24 140.92 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 4.9 m170 -117.9 92.67 42.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.713 ' HA ' HD13 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.74 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.66 177.42 5.53 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.7 mmtm -62.49 -53.6 52.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.7 p -51.16 -43.44 61.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 71.3 m -73.11 132.72 43.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -64.32 152.6 40.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.7 t -137.98 125.73 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 56' ' ' ARG . 14.7 tp10 -86.39 168.92 13.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -53.18 107.17 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.13 20.67 15.65 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' GLU . 28.7 ttm-85 -153.77 167.06 30.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.624 HG21 ' HB3' ' A' ' 46' ' ' PRO . 10.9 p -149.64 144.7 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.4 129.94 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' HG3' ' A' ' 78' ' ' PRO . . . -77.26 145.47 37.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.6 t -70.59 148.15 48.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -75.28 -62.88 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -49.51 -48.49 48.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.8 p -44.28 -35.79 2.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 80.1 mt -54.81 -44.0 73.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -68.6 -26.01 65.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.27 -12.53 33.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -130.44 105.67 8.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.6 t -100.03 151.42 21.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 1.7 t -117.01 -48.47 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' SER . 32.3 mtp180 -35.13 113.94 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -59.85 -68.45 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -86.09 37.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 18.6 t -40.81 110.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.08 34.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -137.78 143.52 41.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.83 HD21 ' HB1' ' A' ' 44' ' ' ALA . 7.5 tp -84.02 150.33 25.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.431 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 11.4 m170 -104.72 98.26 14.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.565 0.698 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.3 Cg_endo -69.81 150.53 68.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.329 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.85 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.78 172.3 12.91 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -64.74 -55.67 18.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 52.9 p-80 -47.71 -20.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.85 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.8 mt -96.95 -57.6 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 82' ' ' LEU . 36.7 mtmt -33.83 -33.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.496 ' N ' ' O ' ' A' ' 82' ' ' LEU . 33.4 m -52.5 -57.02 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.582 ' HA ' HD12 ' A' ' 88' ' ' ILE . 4.1 pt20 -45.65 -33.62 3.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD11 HD11 ' A' ' 23' ' ' LEU . 25.1 mt -80.69 -44.09 19.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.82 -49.89 75.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 85' ' ' GLN . 57.5 mt -38.75 -61.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 10.0 t30 56.7 54.81 6.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.498 ' HB2' HG22 ' A' ' 88' ' ' ILE . 1.7 m -131.53 129.92 41.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.76 59.87 4.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.41 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.2 t -127.43 100.85 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.5 m -123.47 80.6 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.7 t -105.29 -50.94 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.827 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 p -73.43 146.04 45.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.32 66.57 0.65 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -98.61 41.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.906 0.384 . . . . 0.0 110.885 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.5 m -90.89 -51.59 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 14' ' ' PRO . . . -170.77 101.64 0.17 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 53.3 Cg_endo -69.8 -19.84 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' O ' HG13 ' A' ' 15' ' ' VAL . 3.2 p -115.72 87.15 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -119.61 93.98 4.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -155.18 145.08 21.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.6 p -121.21 38.83 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -102.39 -30.17 11.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 17.4 p-90 -102.04 -15.53 16.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 HD21 ' CZ2' ' A' ' 20' ' ' TRP . 16.5 mt -95.51 41.08 1.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 p -109.52 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' HG ' HD21 ' A' ' 86' ' ' LEU . 60.7 mt -151.56 155.49 38.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -77.27 139.91 39.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.9 t -89.83 128.15 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 42.8 t -52.21 114.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -50.19 57.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' OE1' ' CG2' ' A' ' 33' ' ' THR . 13.0 mm-40 -57.59 -50.99 71.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 42.7 t80 -43.05 -55.12 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -46.34 -43.67 16.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -76.51 -31.82 57.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.6 29.56 7.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 ' CG2' ' OE1' ' A' ' 28' ' ' GLN . 10.0 t -124.6 39.67 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 9.0 t -113.98 97.77 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.9 p -89.32 37.24 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -119.77 129.44 54.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -63.53 -176.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -77.47 -35.22 53.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -81.57 -10.81 59.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.23 -51.89 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.1 t -72.95 131.82 42.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -82.05 19.04 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 27.5 m-85 -123.73 159.12 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.907 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -95.76 130.8 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.457 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 2.8 m170 -116.73 92.66 38.77 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.484 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.6 Cg_endo -69.79 124.36 10.99 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.333 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 176.48 6.75 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -57.0 -54.03 51.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.0 m -51.42 -44.05 62.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 90.0 m -72.14 134.82 45.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -75.91 151.26 37.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -120.58 130.89 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -88.93 168.3 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -54.75 106.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.22 19.17 11.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 -157.02 173.37 17.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.484 HG21 ' HB3' ' A' ' 46' ' ' PRO . 4.8 p -148.48 138.68 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 62.8 mt -87.58 135.06 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.32 157.44 18.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.0 t -80.76 137.54 36.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -71.04 -40.22 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.811 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -68.56 -52.3 33.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.6 p -41.35 -32.17 0.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 96.3 mt -56.13 -43.83 78.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.31 -28.59 67.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.35 -11.91 26.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.526 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -131.11 106.94 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 46.5 t -100.31 155.98 17.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.453 ' O ' ' C ' ' A' ' 70' ' ' ARG . 45.8 t -118.59 -52.44 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' SER . 21.5 mmt180 -33.58 111.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.8 -69.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' CYS . 4.5 m120 -85.12 33.12 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' ASN . 7.6 t -36.47 114.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -89.38 29.29 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -129.96 136.25 49.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.907 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.7 tp -73.47 149.57 42.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.955 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 14.0 m170 -105.51 95.59 10.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.57 0.7 . . . . 0.0 110.815 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.76 145.88 58.45 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.693 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.4 Cg_endo -69.8 172.47 12.62 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.4 m -68.38 -42.37 79.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.693 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.3 p-80 -59.68 -22.98 62.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HG ' ' CD2' ' A' ' 81' ' ' HIS . 15.7 mt -97.14 -41.17 8.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 31.2 mtpt -42.36 -46.25 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 55.3 m -42.12 -54.66 3.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -43.53 -47.65 7.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD21 ' HG ' ' A' ' 23' ' ' LEU . 87.9 mt -50.01 -45.77 52.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.08 -56.79 15.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 77.4 mt -44.15 -43.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -45.72 111.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -81.97 177.38 8.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.45 -76.55 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -4.43 13.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.649 2.233 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.9 m -60.66 132.66 54.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -103.1 81.36 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.506 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.0 m -79.12 159.5 27.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 t -42.97 133.7 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -114.6 144.18 18.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.5 t -93.8 145.47 24.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.877 0.37 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.3 p -91.81 167.41 12.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.66 119.46 15.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.435 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 154.9 67.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -108.77 -28.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -90.91 51.1 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -43.13 142.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.0 m -98.63 54.33 1.04 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -94.3 -42.83 8.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.504 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 9.0 p-90 -54.57 -31.89 57.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 30.5 mt -83.34 80.57 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -139.18 147.78 42.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 mt -144.2 140.14 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -71.25 116.96 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -70.69 126.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.9 t -53.61 113.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -47.95 -59.84 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.581 ' HG2' HG23 ' A' ' 33' ' ' THR . 20.4 mt-30 -48.55 -53.56 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -41.8 -54.08 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -49.59 -54.2 19.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -66.98 -24.6 66.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.54 37.17 6.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HG2' ' A' ' 28' ' ' GLN . 9.7 t -133.24 37.98 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.6 t -109.01 99.94 9.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.6 t -85.49 24.32 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -105.05 119.01 37.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.5 m -56.29 167.61 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.83 -27.47 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.01 -4.04 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -105.65 -54.73 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.31 137.19 58.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -85.97 27.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -133.4 167.0 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.65 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.79 136.26 39.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 8.7 m170 -120.37 92.54 47.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.813 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.735 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.69 128.15 15.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.339 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 159.67 52.55 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.735 2.29 . . . . 0.0 112.301 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -43.85 -55.73 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.5 m -50.93 -40.34 57.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 10.5 m -70.62 147.07 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -81.61 158.22 24.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' A' ' 57' ' ' VAL . 88.0 t -139.71 134.47 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 56' ' ' ARG . 19.8 tt0 -94.54 168.79 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -52.91 106.94 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.95 20.83 15.07 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' GLU . 26.5 ttm-85 -157.14 163.86 38.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 52' ' ' VAL . 4.7 p -146.22 145.71 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 21' ' ' LEU . 75.3 mt -93.31 143.04 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.03 155.95 17.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.097 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.9 t -78.7 153.03 31.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' HE3' ' A' ' 65' ' ' LYS . 38.6 t80 -82.16 -58.27 3.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.97 -50.43 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 54.1 p -39.02 -45.45 1.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 47.2 mt -45.4 -43.95 11.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.504 ' HE3' ' CZ ' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -66.49 -30.2 70.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.0 -12.5 24.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -130.02 105.03 7.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.85 145.52 27.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' ARG . 14.6 m -98.05 -56.67 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.1 mtt180 -34.96 112.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -55.78 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' CYS . 0.8 OUTLIER -96.82 41.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.428 ' C ' ' O ' ' A' ' 72' ' ' ASN . 22.9 t -34.82 129.52 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 8.64 30.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -115.56 141.41 48.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.9 tp -78.04 147.55 34.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -104.23 95.79 8.73 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.568 0.699 . . . . 0.0 110.872 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 149.53 67.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.361 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.78 ' HD2' HD12 ' A' ' 82' ' ' LEU . 54.0 Cg_endo -69.71 172.42 12.61 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.675 2.25 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 m -67.39 -49.62 63.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.12 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.684 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -52.06 -21.36 3.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.78 HD12 ' HD2' ' A' ' 79' ' ' PRO . 26.3 mt -96.94 -39.83 9.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -39.61 -35.57 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.7 m -51.1 -54.08 28.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -42.26 -45.1 4.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.47 -41.76 96.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.88 -57.64 10.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 95.1 mt -40.42 -46.5 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -63.65 81.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -42.25 -53.09 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.04 -110.41 2.65 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -2.13 9.64 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.6 m -103.97 147.77 26.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.1 m -116.53 120.97 40.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.468 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.9 m -77.28 156.37 31.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.8 p -160.74 118.45 2.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.87 164.34 15.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.9 m -144.9 164.44 31.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.852 0.358 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -103.74 165.34 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.64 90.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.46 9.15 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.293 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -100.18 137.81 26.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -156.11 138.02 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.73 152.61 45.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 55.14 45.57 25.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.6 tttt -101.49 -33.12 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.733 ' CZ2' HD21 ' A' ' 21' ' ' LEU . 35.6 p-90 -83.9 -10.83 57.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.733 HD21 ' CZ2' ' A' ' 20' ' ' TRP . 17.2 mt -98.16 42.67 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.1 p -118.8 163.25 17.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -153.18 146.86 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -68.82 125.6 27.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -79.72 135.16 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -65.32 103.94 0.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -44.82 -35.8 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.454 ' N ' ' HG2' ' A' ' 27' ' ' ARG . 57.9 mt-30 -70.21 -46.43 64.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 45' ' ' HIS . 20.8 t80 -50.44 -40.6 50.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -55.21 -54.75 39.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 3.0 mpt_? -61.51 -32.91 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.22 23.09 15.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 t -125.93 40.02 3.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.356 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.1 t -101.13 102.8 13.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 m -83.95 33.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -118.33 113.79 21.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.4 p -55.92 -176.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -77.55 -35.34 53.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -87.25 -7.67 57.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -101.59 -53.19 3.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -66.86 132.92 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -83.88 28.65 0.58 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.894 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -137.72 166.33 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.879 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.09 140.85 33.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 8.3 m170 -120.87 92.58 48.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 110.855 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.721 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 133.29 25.21 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.13 13.21 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -60.63 -44.9 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -57.29 -41.74 80.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.2 m -68.3 143.25 55.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -85.39 123.98 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.94 130.65 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 56' ' ' ARG . 7.4 mm-40 -84.79 168.93 14.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -54.11 106.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.85 17.63 9.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 53' ' ' GLU . 9.5 ttm180 -155.61 166.22 34.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.628 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -143.66 143.07 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mt -89.72 143.62 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.65 161.31 14.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.6 t -84.23 149.71 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -81.38 -54.93 5.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -55.93 -49.5 73.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.2 p -40.9 -43.79 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.814 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.2 mt -46.66 -41.95 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.1 mppt? -68.72 -30.3 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.95 -14.35 21.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -130.49 107.2 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.13 151.24 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 70' ' ' ARG . 10.1 t -110.41 -51.12 2.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' SER . 19.5 mtt-85 -34.95 116.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' C ' ' CD ' ' A' ' 71' ' ' GLU . 2.3 tm-20 -60.06 -72.47 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' CYS . 26.2 t-20 -86.73 34.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.4 t -34.42 113.84 0.19 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -78.49 -1.75 35.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -99.4 137.44 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.879 HD21 ' HB1' ' A' ' 44' ' ' ALA . 10.1 tp -78.8 149.08 32.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.6 m170 -103.27 97.11 9.37 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.566 0.698 . . . . 0.0 110.821 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.4 Cg_endo -69.75 148.68 65.69 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.301 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.814 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.3 Cg_endo -69.79 170.26 17.03 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 m -60.55 -58.93 6.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.7 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.6 p-80 -44.38 -23.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.814 HD12 ' HD2' ' A' ' 79' ' ' PRO . 20.1 mt -96.21 -40.71 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' LEU . 6.0 ttmt -35.21 -57.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.6 m -45.07 -45.74 11.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -46.99 -46.19 21.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.6 mt -49.92 -45.76 51.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -57.46 -42.45 82.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.494 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 61.7 mt -63.95 -49.62 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 88' ' ' ILE . 7.7 p30 45.38 51.98 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 97.8 p -43.13 165.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.5 -73.34 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 93' ' ' SER . 53.5 Cg_endo -69.78 2.78 3.23 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 92' ' ' PRO . 29.1 t -35.42 -61.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 95' ' ' GLY . 49.0 m 64.87 47.22 2.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.4 m -120.11 83.1 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.1 t -129.15 86.41 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.77 -81.87 1.34 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -163.46 146.78 10.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -104.59 -56.85 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 72.33 174.38 23.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.442 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.86 7.5 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.27 . . . . 0.0 112.321 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -116.63 134.4 60.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -61.15 173.62 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.01 -55.14 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -91.72 44.98 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -69.96 -41.68 74.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.3 p-90 -103.03 25.02 9.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.2 mt -131.55 36.77 3.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 p -122.25 157.24 32.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -153.56 136.15 15.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -65.93 118.79 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' CA ' ' A' ' 56' ' ' ARG . 59.5 t -65.73 139.82 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.414 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 38.3 t -61.6 115.75 4.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -66.36 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.558 ' HG3' HG23 ' A' ' 33' ' ' THR . 21.6 mp0 -44.1 -59.35 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' A' ' 28' ' ' GLN . 17.4 t80 -36.07 -52.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -55.55 -53.77 52.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -63.92 -23.37 67.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.821 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.01 36.72 6.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.558 HG23 ' HG3' ' A' ' 28' ' ' GLN . 6.0 t -130.9 38.01 3.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 111.108 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.4 t -124.06 97.91 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.6 p -97.29 38.94 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -109.66 157.73 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -82.74 177.55 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -71.2 -31.73 67.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -94.95 0.62 54.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -101.45 -47.44 4.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.6 t -79.16 140.79 37.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 27.66 0.68 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.414 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 35.9 m-85 -139.54 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.696 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -100.05 139.15 36.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 12.2 m170 -119.88 92.8 47.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.712 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.841 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.81 134.87 28.91 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.326 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 179.15 3.88 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.652 2.235 . . . . 0.0 112.349 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 -45.96 72.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.5 p -58.9 -26.9 64.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' SG ' ' C ' ' A' ' 75' ' ' TYR . 20.3 m -91.11 121.06 32.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -60.46 143.68 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -118.63 124.08 72.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -82.21 168.64 17.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.11 106.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 23.38 22.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.495 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.411 ' CA ' HG23 ' A' ' 25' ' ' VAL . 16.4 ttp180 -155.41 168.18 27.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.692 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.5 p -155.29 137.79 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.4 mt -83.47 131.3 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.76 150.35 25.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.087 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.7 t -74.49 146.87 42.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -81.4 -46.36 14.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.48 -50.08 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.4 p -40.71 -42.97 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.3 mt -45.61 -43.02 11.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -69.09 -32.04 71.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.414 ' C ' ' HD2' ' A' ' 67' ' ' ARG . . . 113.94 -12.27 22.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.491 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HD2' ' C ' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -131.12 105.66 7.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.841 -179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.2 t -100.32 150.0 23.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.7 t -112.67 -50.89 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 56.1 mtt85 -34.42 112.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -68.28 -43.29 78.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' CYS . 2.7 m-20 -98.97 26.32 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ASN . 20.0 t -36.89 109.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -86.84 21.91 2.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.422 ' C ' ' SG ' ' A' ' 50' ' ' CYS . 44.5 m-85 -127.32 136.37 51.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.841 HD13 ' HA ' ' A' ' 46' ' ' PRO . 10.4 tp -75.57 152.79 37.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.1 m170 -104.23 98.54 14.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.557 0.694 . . . . 0.0 110.853 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.9 Cg_endo -69.7 148.5 65.56 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.403 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.737 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.77 171.99 13.47 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.293 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.6 m -60.75 -63.03 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.647 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 53.3 p-80 -41.48 -29.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.5 mt -88.83 -39.74 13.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 mtmm -40.15 -39.22 0.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.416 HG22 HG13 ' A' ' 88' ' ' ILE . 17.1 m -58.32 -51.61 69.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.612 ' HA ' HD12 ' A' ' 88' ' ' ILE . 15.9 mt-30 -42.65 -35.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.72 -59.99 3.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 88' ' ' ILE . 7.4 pt-20 -59.6 -34.25 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 85' ' ' GLN . 75.2 mt -53.25 -37.94 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.087 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -101.28 60.83 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.2 p -102.48 165.8 10.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 125.18 120.79 2.48 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.03 9.48 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.1 m -45.11 139.8 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.0 m -160.58 131.35 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.47 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.9 m -50.6 173.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.6 m 38.43 43.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.99 -141.27 4.47 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -112.26 84.53 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.835 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.7 p -90.33 121.26 32.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 40.37 73.12 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.77 -0.17 6.53 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.346 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' O ' HG23 ' A' ' 15' ' ' VAL . 30.7 m -35.83 106.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -146.12 123.96 11.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -92.51 148.49 22.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.35 71.39 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.43 -28.06 11.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -96.67 22.52 8.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 15.5 mt -131.3 43.12 3.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -107.24 159.68 16.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 32.1 mt -152.62 141.78 21.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.81 124.59 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.1 t -77.33 147.59 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.44 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 49.7 t -71.56 103.89 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -38.4 -55.79 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' PHE . 60.8 mt-30 -54.16 -56.78 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLN . 34.1 t80 -37.12 -54.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -46.73 -50.95 17.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.485 ' N ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mpt_? -71.07 -29.51 65.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.45 20.38 20.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 42.0 p -108.84 34.71 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 111.139 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 t -116.25 111.11 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 t -102.05 31.58 3.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 91.4 mtt-85 -115.94 137.49 52.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.6 p -70.88 -175.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.822 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.03 -33.6 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -79.35 -15.05 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -100.07 -54.53 2.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -66.08 133.98 51.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.529 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -80.33 14.2 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.529 ' CZ ' ' HD2' ' A' ' 42' ' ' LYS . 19.7 m-85 -122.88 162.23 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.787 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -96.72 134.77 39.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -117.35 92.86 41.43 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.593 0.711 . . . . 0.0 110.836 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.796 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.8 Cg_endo -69.76 140.45 42.69 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 172.22 13.05 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.24 93.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 86.2 p -61.82 -43.23 99.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 56.0 m -70.0 143.87 52.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -80.92 142.88 33.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.69 128.19 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -84.38 168.86 15.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -53.53 107.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.67 26.64 40.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.468 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -155.16 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.796 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.4 p -158.69 139.04 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.2 mt -83.03 140.36 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.09 160.09 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 46.3 t -88.5 149.48 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -78.31 -57.63 3.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.45 -49.56 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -42.05 -40.08 2.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.4 mt -53.15 -40.46 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.07 -30.17 69.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.17 -16.72 19.97 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -131.07 107.22 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 t -100.26 138.47 37.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.0 t -100.53 -38.81 8.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -38.9 118.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -65.52 -62.01 1.77 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.457 ' O ' ' C ' ' A' ' 73' ' ' CYS . 42.5 t30 -100.07 40.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.457 ' C ' ' O ' ' A' ' 72' ' ' ASN . 6.2 t -33.92 132.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.585 ' HE2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.68 -0.85 47.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.585 ' CE2' ' HE2' ' A' ' 74' ' ' LYS . 22.2 m-85 -113.81 139.12 49.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.787 HD21 ' HB1' ' A' ' 44' ' ' ALA . 9.2 tp -73.6 153.73 40.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 8.5 m170 -105.28 95.45 9.69 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.602 0.715 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 53.7 Cg_endo -69.8 150.51 68.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.711 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 53.8 Cg_endo -69.77 173.01 11.6 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.283 . . . . 0.0 112.311 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.8 m -65.4 -52.36 53.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.711 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 46.2 p-80 -49.96 -26.97 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.675 HD12 ' CG ' ' A' ' 79' ' ' PRO . 25.3 mt -93.88 -39.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -42.66 -44.64 4.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 67.7 m -53.47 -44.69 69.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -49.0 -25.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.3 mt -75.47 -56.12 5.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.69 -28.42 69.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mt -58.95 -43.51 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -92.64 96.97 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 73.2 p -90.94 -45.4 8.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.72 -150.6 6.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 152.86 69.48 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 m -81.92 82.69 7.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 86.1 p -125.74 41.14 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.466 179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.1 p -103.63 42.28 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -96.37 114.68 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.06 -57.98 0.36 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.0 m -50.41 141.48 11.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.6 t -64.54 119.41 10.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -43.41 168.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -38.87 7.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.8 p -174.88 142.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -119.26 84.77 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -106.59 155.63 19.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.6 p -114.88 41.25 2.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -84.47 -44.97 13.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.481 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 1.5 p-90 -69.15 -29.29 67.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HG ' ' CE2' ' A' ' 20' ' ' TRP . 20.7 mt -89.49 76.96 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 p -138.96 145.88 40.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.7 mt -142.66 135.56 28.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.02 114.69 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.64 134.26 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.3 t -54.94 135.49 48.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -67.04 -60.77 2.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -48.26 -41.82 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -55.31 -50.15 70.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -52.43 -55.1 24.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -64.76 -30.0 71.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.33 37.28 4.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.523 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.2 t -131.18 34.93 3.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 111.166 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.3 t -117.99 106.24 12.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.2 t -102.52 35.22 2.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -117.01 119.81 36.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.4 m -56.83 156.52 6.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -54.83 -27.36 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -81.11 -16.67 52.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -99.87 -56.46 2.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 138.21 58.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -83.98 32.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 22.2 m-85 -139.56 170.28 16.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.11 133.37 44.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 17.5 m170 -118.68 92.5 44.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.582 0.706 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.8 ' HB3' HG21 ' A' ' 57' ' ' VAL . 54.0 Cg_endo -69.72 122.87 9.55 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.362 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 168.05 22.78 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -48.07 75.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.7 m -54.25 -41.51 68.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 88.2 m -79.68 125.0 29.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -63.28 147.63 50.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 99.0 t -120.64 132.24 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -86.32 167.11 15.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -52.17 107.09 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.58 20.65 18.33 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . 7.0 ttt85 -156.22 173.45 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 46' ' ' PRO . 11.2 p -150.46 137.45 13.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 61.1 mt -85.89 134.66 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.54 147.71 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.5 t -73.67 144.88 45.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -77.57 -53.14 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -56.54 -51.62 67.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 66' ' ' GLY . 13.7 p -40.33 -47.06 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.8 mt -41.54 -42.42 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -70.91 -31.63 68.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 63' ' ' SER . . . 113.45 -11.16 23.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 54.3 ttt-85 -131.0 104.67 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.3 t -100.19 156.38 17.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 70' ' ' ARG . 3.6 t -120.88 -48.04 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 69' ' ' SER . 4.8 mmt180 -34.49 115.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.834 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.53 -70.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -86.77 35.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.2 t -38.2 115.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -87.93 36.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -139.61 138.41 36.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.751 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.3 tp -75.74 151.83 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 16.4 m170 -107.95 96.41 17.58 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.617 0.722 . . . . 0.0 110.879 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.2 Cg_endo -69.72 148.26 64.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 0.0 112.327 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.692 ' CG ' ' CE1' ' A' ' 81' ' ' HIS . 54.1 Cg_endo -69.78 174.08 10.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.5 m -63.37 -61.93 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.692 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 48.9 p-80 -40.63 -41.46 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.673 HD12 ' HD2' ' A' ' 79' ' ' PRO . 18.3 mt -75.61 -55.71 5.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 82' ' ' LEU . 30.2 mtpt -33.0 -37.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 82' ' ' LEU . 86.3 m -50.82 -52.38 41.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -43.48 -48.88 7.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.0 mt -50.91 -50.44 57.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -51.6 -58.29 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.2 mt -44.06 -37.84 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.4 m120 57.41 48.18 15.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.0 m -103.5 90.06 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.14 -109.46 1.08 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.511 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -7.54 21.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.226 . . . . 0.0 112.332 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -90.52 118.53 30.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.6 m -107.41 125.17 50.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.461 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.2 m -47.07 117.17 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 p -87.44 -5.53 58.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.08 137.26 2.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.7 m -96.59 162.33 13.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.6 m -108.46 42.71 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.36 64.58 0.49 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 84.91 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.0 t -126.05 91.04 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -108.82 -60.1 1.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -75.21 159.06 32.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.998 HG21 HG23 ' A' ' 58' ' ' ILE . 21.2 m -112.33 84.6 2.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -98.43 -46.21 5.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.438 ' CE2' ' HG ' ' A' ' 21' ' ' LEU . 19.8 p-90 -91.43 -22.79 20.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.853 ' HB2' HG23 ' A' ' 18' ' ' THR . 32.9 mt -88.96 45.02 1.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -118.04 154.39 32.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' CD2' ' CD ' ' A' ' 85' ' ' GLN . 74.3 mt -146.78 147.96 31.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.88 137.9 38.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.49 135.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -61.8 117.99 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.64 -55.2 17.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' CD ' HG23 ' A' ' 33' ' ' THR . 31.2 mm-40 -54.98 -42.96 73.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 45' ' ' HIS . 46.4 t80 -53.7 -48.68 69.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -52.11 -50.39 61.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -71.08 -28.89 64.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.49 33.37 6.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.481 HG23 ' CD ' ' A' ' 28' ' ' GLN . 10.0 t -129.03 40.32 3.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.839 0.352 . . . . 0.0 111.154 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.59 102.02 10.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.9 t -85.5 31.66 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -111.22 128.64 55.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 m -59.67 172.93 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -71.48 -30.57 66.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -100.62 3.2 42.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -105.63 -44.21 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.79 138.52 50.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 ptmm? -85.7 30.78 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -140.19 168.58 19.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 76' ' ' LEU . . . -100.16 130.57 46.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.541 ' HB3' ' CE1' ' A' ' 29' ' ' PHE . 7.7 m170 -116.51 92.53 37.4 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.565 0.698 . . . . 0.0 110.875 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.656 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.78 131.34 21.01 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 174.76 9.02 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.693 2.262 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -64.16 -38.85 92.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.1 m -64.36 -39.24 93.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -72.2 143.68 48.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -81.72 123.8 29.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.8 t -96.94 128.12 48.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -84.6 165.38 18.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -57.7 106.84 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.7 16.66 24.23 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -157.11 174.24 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 46' ' ' PRO . 7.7 p -151.26 148.71 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.998 HG23 HG21 ' A' ' 18' ' ' THR . 45.7 mt -92.0 133.93 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -87.61 125.67 34.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 41.4 t -52.41 148.13 7.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -78.06 -54.22 6.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -57.03 -50.34 73.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 p -42.98 -33.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.9 mt -55.79 -44.58 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -67.97 -28.81 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.42 -12.59 25.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.534 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 9.0 mmm180 -130.98 105.77 7.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.823 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.6 t -100.18 146.14 27.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 70' ' ' ARG . 73.5 m -108.84 -42.16 4.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.454 ' C ' ' O ' ' A' ' 69' ' ' SER . 10.7 mmp_? -34.22 116.58 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.27 -74.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' CYS . 31.1 m-20 -87.5 33.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' ASN . 45.8 t -35.97 125.75 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.22 7.53 46.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -104.62 136.13 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.675 ' CD2' ' HB1' ' A' ' 44' ' ' ALA . 16.6 tp -74.67 147.7 41.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 13.6 m170 -103.62 97.17 10.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.606 0.717 . . . . 0.0 110.866 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.519 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.79 149.22 66.38 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.31 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.721 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.5 Cg_endo -69.78 172.94 11.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.739 2.293 . . . . 0.0 112.308 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.471 HG23 ' NZ ' ' A' ' 83' ' ' LYS . 19.1 m -69.67 -43.43 72.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.694 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 34.3 p-80 -56.99 -26.09 59.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.721 HD12 ' HD2' ' A' ' 79' ' ' PRO . 24.9 mt -91.34 -40.88 11.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.471 ' NZ ' HG23 ' A' ' 80' ' ' THR . 5.3 mtmp? -39.89 -37.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 26.6 m -49.82 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.7 ' HA ' HD12 ' A' ' 88' ' ' ILE . 3.6 pt20 -40.75 -31.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD11 HD11 ' A' ' 23' ' ' LEU . 27.8 mt -82.38 -44.89 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -58.97 -44.09 91.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.7 HD12 ' HA ' ' A' ' 85' ' ' GLN . 82.7 mt -37.87 -59.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -106.37 125.88 51.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 m -133.95 163.05 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.82 -140.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -32.65 18.05 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 t -58.65 139.48 55.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 95' ' ' GLY . 93.2 p -164.51 170.61 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.496 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.6 t -59.38 -44.56 92.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 110.841 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.9 m 54.88 42.13 31.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -47.11 129.01 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.9 p -65.64 102.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.904 0.383 . . . . 0.0 110.881 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.9 m -136.97 123.71 21.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.09 -110.31 0.71 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 84.63 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -71.65 138.51 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -98.19 86.97 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -62.05 128.6 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.449 ' O ' HG22 ' A' ' 18' ' ' THR . 13.1 m -123.53 48.66 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -91.61 -38.89 12.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -95.58 8.21 44.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.5 mt -117.07 36.83 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.6 p -123.23 162.89 21.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 80.4 mt -154.21 144.36 22.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -74.59 112.51 10.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' CG2' ' HB ' ' A' ' 57' ' ' VAL . 85.5 t -64.67 131.82 30.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 27' ' ' ARG . 44.1 t -52.26 104.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 26' ' ' CYS . 8.8 ptt180 -34.9 -59.05 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 29' ' ' PHE . 3.2 mm100 -51.82 -59.93 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' A' ' 28' ' ' GLN . 40.0 t80 -35.42 -55.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -43.69 -49.14 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -77.8 -26.11 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 96.09 29.32 8.58 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.447 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 31.1 p -113.34 32.76 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 111.154 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.1 t -119.06 110.73 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m -99.2 35.38 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -119.29 149.6 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.9 t -82.71 -176.3 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -77.39 -32.57 54.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' OE1' ' C ' ' A' ' 39' ' ' GLU . 1.4 tm-20 -81.77 -14.0 56.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -100.48 -55.28 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.75 134.77 52.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG3' ' CE1' ' A' ' 43' ' ' PHE . 11.0 ptmt -84.17 32.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.419 ' CE1' ' HG3' ' A' ' 42' ' ' LYS . 22.9 m-85 -139.41 168.37 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -99.97 134.25 43.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 11.7 m170 -118.45 92.76 44.22 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.754 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.3 Cg_endo -69.82 129.98 18.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.311 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.22 19.43 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.634 2.223 . . . . 0.0 112.344 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -59.42 -40.53 87.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.8 m -61.83 -42.69 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.5 m -73.14 136.36 44.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -70.64 135.7 48.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.2 t -111.48 125.89 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -84.93 160.72 20.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -53.18 107.98 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.36 16.29 27.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -154.81 171.22 19.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 46' ' ' PRO . 13.2 p -147.72 144.95 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.7 mt -93.03 125.54 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.85 152.33 28.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.86 152.42 33.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -82.47 -54.91 4.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.03 -49.91 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.485 ' HB2' ' CG ' ' A' ' 77' ' ' HIS . 33.1 p -39.97 -38.05 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -50.92 -44.76 60.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.435 ' CD ' ' H ' ' A' ' 65' ' ' LYS . 8.2 mptt -66.15 -28.6 68.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.98 -15.7 21.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -130.49 110.44 11.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.09 150.07 22.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 70' ' ' ARG . 34.9 m -106.03 -53.34 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' SER . 67.6 mtt-85 -35.12 122.19 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.81 -63.26 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -95.06 39.05 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -38.68 115.67 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.4 pttt -86.91 35.87 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -138.84 139.21 38.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' ' 46' ' ' PRO . 7.9 tp -76.58 154.02 34.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.485 ' CG ' ' HB2' ' A' ' 63' ' ' SER . 17.4 m170 -109.69 98.67 34.33 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.559 0.695 . . . . 0.0 110.872 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 53.3 Cg_endo -69.76 148.59 65.45 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.269 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.799 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.8 Cg_endo -69.81 171.47 14.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.258 . . . . 0.0 112.328 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.9 m -60.26 -62.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.604 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 49.0 p-80 -42.39 -25.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.799 HD12 ' HD2' ' A' ' 79' ' ' PRO . 17.8 mt -93.41 -38.82 11.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -40.85 -44.56 2.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 28.7 m -52.62 -53.65 44.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.682 ' NE2' HD23 ' A' ' 82' ' ' LEU . 2.4 mp0 -43.33 -49.96 6.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.39 -43.13 54.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -68.97 -45.62 70.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 85' ' ' GLN . 93.2 mt -44.08 -41.1 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -81.32 44.15 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 88.4 p -106.72 -43.75 4.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 140.62 117.48 1.4 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -20.3 35.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.726 2.284 . . . . 0.0 112.352 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.0 t -168.87 165.52 11.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.3 t -109.8 139.78 44.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.506 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 t -99.46 146.84 25.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.1 m -102.23 169.4 8.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.71 -137.13 8.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -62.27 150.42 39.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -149.13 157.67 43.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 126.13 134.02 3.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.44 9.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.64 2.226 . . . . 0.0 112.335 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.7 m -110.54 164.48 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.93 27.87 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.59 100.2 12.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -124.34 65.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.147 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -101.49 -41.02 6.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -88.13 -4.49 58.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 46.3 mt -107.95 32.71 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.5 p -109.22 151.52 26.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -146.41 142.5 28.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.64 127.4 32.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.13 136.2 24.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.425 ' HB2' ' CB ' ' A' ' 43' ' ' PHE . 35.7 t -55.85 104.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 26' ' ' CYS . 3.5 mtm-85 -37.49 -55.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -51.65 -55.73 17.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -45.58 -51.96 11.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -70.92 -29.86 66.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.17 31.43 7.62 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.6 p -116.41 20.27 14.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.2 t -102.13 106.92 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.7 p -99.32 37.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mtt85 -117.22 132.52 56.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -62.38 178.47 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -66.66 -41.12 88.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -87.75 0.35 55.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -100.15 -38.51 8.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -89.96 144.36 25.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.5 29.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.425 ' CB ' ' HB2' ' A' ' 26' ' ' CYS . 44.2 m-85 -138.88 169.9 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.855 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -97.27 132.05 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -118.88 92.66 45.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.553 0.692 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.769 ' HB3' HG21 ' A' ' 57' ' ' VAL . 53.7 Cg_endo -69.77 123.0 9.67 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.336 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 169.15 19.53 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.285 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -57.17 -43.79 82.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 m -57.84 -41.71 82.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 82.7 m -78.0 134.96 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -68.6 135.99 52.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.412 HG22 ' HB2' ' A' ' 46' ' ' PRO . 51.9 t -110.32 130.41 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -87.49 166.92 14.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -55.73 106.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.64 18.38 10.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 56' ' ' ARG . 11.9 ttm105 -155.53 172.18 18.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.769 HG21 ' HB3' ' A' ' 46' ' ' PRO . 14.6 p -152.14 144.06 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.074 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.5 mt -88.59 147.7 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.431 ' HB1' ' HG3' ' A' ' 78' ' ' PRO . . . -98.87 134.22 42.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.089 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 40.7 t -63.5 146.74 53.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -71.79 -56.79 5.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -54.39 -53.06 59.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 38.7 p -38.66 -38.66 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.9 mt -50.12 -46.26 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -65.66 -30.37 71.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.65 -12.98 25.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.481 ' CZ ' ' HB2' ' A' ' 67' ' ' ARG . 17.1 mtm105 -130.92 104.99 7.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.0 t -100.22 153.64 19.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 88.3 p -108.61 -34.29 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mmt-85 -53.06 99.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -47.14 -65.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' CYS . 16.0 p-10 -93.52 40.75 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' ASN . 9.8 t -36.39 121.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -84.16 6.94 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -117.07 141.31 48.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.855 HD21 ' HB1' ' A' ' 44' ' ' ALA . 12.5 tp -73.61 147.33 43.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 19.2 m170 -105.75 100.33 26.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HG3' ' HB1' ' A' ' 59' ' ' ALA . 53.5 Cg_endo -69.77 149.18 66.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.836 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.2 Cg_endo -69.79 170.04 17.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.5 m -65.32 -45.73 83.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.672 ' CE1' ' CG ' ' A' ' 79' ' ' PRO . 40.2 p-80 -57.06 -21.24 29.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.836 HD12 ' HD2' ' A' ' 79' ' ' PRO . 23.3 mt -96.21 -47.62 5.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' LEU . 13.3 ttpt -35.88 -38.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 77.4 m -48.85 -48.38 41.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -48.34 -46.19 36.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.6 mt -56.09 -52.29 64.84 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -48.93 -52.63 23.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 74.8 mt -49.68 -58.38 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -81.81 69.96 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -122.82 89.73 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 165.44 179.33 39.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -173.16 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.251 . . . . 0.0 112.312 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -122.85 126.35 47.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.3 t -37.85 126.74 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.067 -0.851 . . . . 0.0 112.426 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.1 m -98.19 90.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -80.01 -57.2 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 170.15 116.2 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.0 t -69.91 82.09 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -161.23 140.98 10.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.38 -155.03 26.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 174.94 8.81 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.9 t -58.8 119.15 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.3 160.59 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 18' ' ' THR . 6.5 m-20 -133.63 63.48 1.63 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 18' ' ' THR . 13.9 t 29.49 50.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -85.1 -47.05 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 33.5 p-90 -68.03 -10.73 55.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.2 mt -99.03 40.27 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.89 133.91 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -116.22 157.27 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -73.08 138.02 45.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 56' ' ' ARG . 96.8 t -85.84 143.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.1 t -70.27 108.07 4.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -54.05 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -50.86 -48.72 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -52.13 -54.25 32.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -47.87 -47.03 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.08 -32.71 69.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.43 37.41 3.78 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 t -134.11 39.17 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.3 t -116.67 93.63 4.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 m -87.49 38.88 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.2 mtt-85 -117.18 133.77 55.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.438 ' N ' ' HB3' ' A' ' 40' ' ' GLU . 32.3 p -71.53 171.93 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -56.13 -40.24 73.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -89.64 1.93 55.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HB3' ' N ' ' A' ' 37' ' ' SER . 48.0 tt0 -100.82 -41.52 6.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.8 t -90.35 146.85 23.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' O ' HD21 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -90.01 17.0 7.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CD1' ' HG3' ' A' ' 42' ' ' LYS . 29.8 m-85 -126.63 169.43 13.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.539 ' HB1' HD21 ' A' ' 76' ' ' LEU . . . -98.05 136.01 38.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.059 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 7.8 m170 -119.84 92.79 47.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.81 ' HA ' HD13 ' A' ' 76' ' ' LEU . 53.2 Cg_endo -69.78 130.06 18.65 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD3' HD13 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.75 161.05 47.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -50.97 -37.73 46.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.0 m -64.0 -36.15 83.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.3 m -81.73 142.13 32.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -73.45 167.08 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 96.1 t -141.3 126.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 56' ' ' ARG . 65.5 mm-40 -81.93 169.07 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -53.05 107.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.39 17.45 8.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' GLU . 10.5 ttm105 -155.94 170.02 23.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 46' ' ' PRO . 9.6 p -144.73 147.26 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 59.4 mt -91.06 141.64 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.45 148.1 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 48.8 t -73.79 147.28 43.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -76.57 -55.41 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -55.94 -51.87 66.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.847 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.9 p -39.84 -27.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.5 mt -61.86 -45.91 91.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -64.74 -28.73 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.07 -15.75 20.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.5 mtt85 -130.9 109.09 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 41.9 t -100.11 153.65 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 70' ' ' ARG . 33.2 m -108.82 -50.8 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 69' ' ' SER . 31.3 mtp180 -36.27 126.09 0.78 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -69.2 -68.03 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' CYS . 5.3 m120 -90.38 36.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 72' ' ' ASN . 8.7 t -36.13 109.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -71.2 -15.07 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -89.83 134.25 34.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 46' ' ' PRO . 9.6 tp -77.4 149.69 35.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 10.7 m170 -100.25 99.85 10.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.582 0.705 . . . . 0.0 110.835 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 77' ' ' HIS . 54.3 Cg_endo -69.74 149.56 67.17 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.901 ' HD2' HD12 ' A' ' 82' ' ' LEU . 53.9 Cg_endo -69.74 171.85 13.7 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 82' ' ' LEU . 5.6 m -60.25 -67.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 79' ' ' PRO . 49.4 p-80 -37.3 -32.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.901 HD12 ' HD2' ' A' ' 79' ' ' PRO . 15.9 mt -82.61 -49.87 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -43.15 -42.39 4.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.2 m -51.4 -48.79 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.082 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -46.84 -49.84 19.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.4 mt -49.15 -41.04 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -65.99 -47.49 74.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.813 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.454 HG22 ' H ' ' A' ' 90' ' ' SER . 53.6 mt -67.6 -63.45 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 88' ' ' ILE . 1.9 p-10 45.71 42.7 8.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.454 ' H ' HG22 ' A' ' 88' ' ' ILE . 11.3 m -78.47 145.65 34.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.25 166.7 10.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 137.5 35.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.386 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -50.42 -44.63 55.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.1 m -72.86 151.49 41.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.45 179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_