data_2k8q_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 2k8q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.571 0.701 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.77 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -157.16 146.26 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -161.86 131.62 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -124.53 140.36 53.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 mt -111.83 143.12 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.64 146.3 50.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.48 144.25 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.03 177.65 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.77 17.93 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -142.36 -41.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.77 -176.53 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mm -106.05 141.39 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -122.56 101.82 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -99.2 124.26 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -110.28 137.9 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -125.33 130.94 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.54 131.24 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -179.14 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -82.33 132.79 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 139.12 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.42 130.04 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.22 -171.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -34.98 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -139.26 -51.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptm -75.77 168.56 19.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.5 mt -116.61 136.22 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.7 mm -107.71 120.48 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.45 104.48 16.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.06 -18.73 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.77 154.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.45 166.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.67 0.747 . . . . 0.0 110.849 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.73 -5.8 17.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.286 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.26 129.18 55.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -93.84 133.02 37.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.73 142.85 50.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 118.63 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.5 mt -108.45 123.37 48.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.36 103.36 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.424 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 9.0 m-85 -95.37 155.52 38.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.79 -7.34 20.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -112.55 -172.44 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -125.3 123.72 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -102.7 174.1 6.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 tt -137.28 144.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -101.93 105.8 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.83 -168.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.35 -28.43 67.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.93 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 p -61.38 132.32 53.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 t -178.56 163.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.83 142.89 51.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -122.45 136.42 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -86.65 127.02 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.62 118.21 36.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 p -86.02 -37.14 19.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -29.99 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.02 -2.59 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 58.52 26.03 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.9 p -108.18 167.51 9.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.73 133.59 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -109.06 124.56 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.27 125.0 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 139.39 47.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.79 128.73 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.34 152.0 38.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -103.7 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.0 mt -87.52 -23.8 24.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.04 123.68 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.36 159.23 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.68 16.96 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -96.48 150.99 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -126.71 -171.84 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -133.67 159.27 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.42 17.57 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.29 -29.82 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.5 mt -54.89 -24.4 23.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.49 -29.23 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.45 136.06 22.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -48.94 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 p -57.84 -36.22 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -57.18 -22.74 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.5 -43.03 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.568 0.699 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.244 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.22 151.53 26.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.07 138.18 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 140.23 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -110.49 141.96 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.99 146.39 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -111.47 144.29 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.42 -166.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.02 21.97 16.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.95 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.06 -177.33 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.45 142.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -120.86 99.79 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -92.44 124.11 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -109.17 134.54 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.53 128.67 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.5 116.82 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -174.46 84.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -80.94 132.16 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.55 138.78 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.97 129.54 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 10.0 mm100 -75.77 -174.17 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.57 -37.25 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -137.15 -52.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.9 ptm -74.77 168.96 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.9 mt -117.43 137.49 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.2 mm -108.56 119.44 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -95.58 106.59 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -104.8 -18.21 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 157.31 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.422 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 62.72 166.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.78 -5.76 16.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.96 129.04 56.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -95.15 130.54 41.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.0 tp -129.21 148.89 51.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -125.19 128.83 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -116.34 124.44 50.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -118.48 104.96 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 10.4 m-30 -95.14 155.89 38.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.8 -7.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.71 -171.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -124.99 121.52 34.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -99.93 -177.22 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.4 tt -148.69 144.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.89 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.7 -168.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.09 -28.3 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -60.87 132.89 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -174.74 166.68 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.44 143.21 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -121.9 133.48 54.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -86.91 127.17 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.07 121.0 44.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.6 p -88.47 -31.94 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -27.81 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -128.26 1.84 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.96 30.18 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 72.2 m -111.38 170.51 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.48 133.38 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.99 123.83 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.22 127.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 139.49 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.32 131.52 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.49 134.0 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 150.84 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.02 139.62 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -80.08 160.73 25.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.38 19.29 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -91.37 145.4 24.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -129.3 178.45 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -130.3 152.83 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.77 -13.94 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -90.26 -26.03 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.11 -21.98 48.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.76 -24.27 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.41 116.51 56.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.59 26.47 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 p -97.75 -33.14 11.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -67.03 -17.85 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mt -90.73 -42.98 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.601 0.715 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.75 -85.75 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -124.5 153.51 41.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -163.23 139.89 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -124.42 138.76 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.46 142.21 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.05 146.71 50.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.43 143.68 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.77 176.41 7.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.06 19.75 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -143.91 -40.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -157.41 179.05 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mm -106.29 141.96 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -122.47 108.25 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -99.02 124.47 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -109.46 137.38 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.04 138.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.51 131.21 46.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.788 0.328 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -174.19 84.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.51 131.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.16 137.34 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.03 129.56 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.88 -35.55 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -138.38 -51.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -75.07 174.52 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.42 136.79 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.41 120.52 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -96.42 101.34 12.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.43 -18.13 17.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 158.87 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.52 165.65 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.63 128.94 56.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -92.94 130.32 38.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -129.15 146.77 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -120.38 132.42 55.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.04 115.48 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -110.88 103.51 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.76 154.73 39.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -10.21 28.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -110.22 -172.76 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.2 125.33 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.28 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.63 144.33 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -100.63 106.77 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -116.12 -168.47 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.94 -26.34 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -31.06 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -65.89 132.86 49.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -178.77 162.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.97 141.82 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -123.42 150.14 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -87.34 127.0 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.83 117.19 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.4 p -89.17 -32.36 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -30.6 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -125.62 -1.45 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.0 27.57 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.3 m -111.55 176.65 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -121.64 133.09 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.6 124.51 51.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.52 128.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.39 140.42 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 p -151.12 131.25 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.47 151.49 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 166.69 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.33 -39.2 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.31 118.06 27.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.34 162.55 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.37 17.41 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.16 124.89 41.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -100.86 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -132.29 155.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -116.25 -41.89 3.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.53 -22.62 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.58 -22.37 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.55 -28.92 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 117.8 47.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.81 27.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.5 p -95.06 -16.06 22.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -72.21 -22.51 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.67 -47.24 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.564 0.697 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.29 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 146.04 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -157.96 135.79 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 138.56 54.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.98 143.12 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.05 146.48 50.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.94 143.98 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.27 173.77 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.98 13.98 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -137.38 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -158.82 -177.5 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.16 141.82 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -121.26 108.82 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 tp -98.9 123.65 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -110.54 134.8 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.62 123.1 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.01 113.89 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -172.62 83.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.97 131.9 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.2 151.87 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.02 130.03 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.9 -171.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.02 -36.39 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -139.39 -50.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptm -74.91 173.43 10.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.21 137.25 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -108.12 120.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.74 104.16 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.9 -18.54 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.2 155.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.89 166.74 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -4.59 14.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -110.24 129.07 55.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -94.19 130.44 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.26 143.47 50.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -119.0 132.36 56.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -119.7 116.84 26.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -111.64 105.06 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 12.2 m-30 -95.71 155.11 38.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -8.38 23.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -114.28 -173.18 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -124.41 120.56 32.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mt -96.96 -179.67 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.53 143.42 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.66 98.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.74 -173.55 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.25 -33.0 73.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -36.25 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.06 133.3 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -177.73 161.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.7 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -123.16 147.65 46.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -87.77 127.11 35.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.67 117.02 32.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 p -86.89 -44.54 11.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -20.7 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -122.93 -6.56 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 56.47 23.55 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.71 175.92 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mm -122.73 131.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -110.78 124.38 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.65 129.37 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.87 140.53 46.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -150.41 128.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.61 150.99 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.16 157.95 16.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.77 -23.79 63.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.05 127.16 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -69.98 162.69 27.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.06 18.93 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -89.65 138.91 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.96 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -133.22 154.24 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -127.23 -1.87 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.32 17.44 22.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.8 mt -92.01 3.98 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.19 14.56 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.88 101.21 18.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -5.68 16.76 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 p -95.72 -29.7 14.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.56 -38.02 59.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 mt -69.44 -46.42 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.572 0.701 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 154.55 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -171.43 131.86 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -124.92 142.68 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.57 143.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -127.51 146.68 50.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.31 144.56 43.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.42 175.98 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.02 13.62 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -137.21 -41.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -158.05 -177.3 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.01 141.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -123.79 101.86 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 tp -98.61 124.42 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -109.91 140.01 44.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.69 143.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.69 132.39 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -174.65 68.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -70.11 134.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.51 153.69 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.71 129.98 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -73.91 -174.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.56 -35.17 39.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -139.22 -51.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 ptm -75.24 167.82 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.0 136.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mm -107.85 120.09 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -97.86 108.01 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.56 -18.87 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.58 155.13 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.415 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.85 166.85 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.2 Cg_endo -69.82 -4.51 14.21 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -109.36 129.35 55.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -93.84 134.16 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.55 142.96 50.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -123.05 114.69 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.1 mt -104.5 124.28 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -116.34 102.95 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.431 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 11.7 m-30 -92.76 155.87 41.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.75 -8.0 22.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -116.85 -171.54 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.2 124.68 41.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.08 177.57 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 tt -137.72 141.48 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -99.75 109.44 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -119.61 -167.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.17 -22.59 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -29.98 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 p -67.2 132.51 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -175.79 165.15 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.65 143.18 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -122.57 135.61 54.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.87 127.03 35.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.88 117.93 35.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -86.36 -36.05 19.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -30.15 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -121.08 -5.34 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.14 26.67 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.52 170.96 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.62 133.8 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -108.63 124.2 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.51 124.98 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -111.88 140.02 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 p -151.89 128.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.0 149.42 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.45 147.21 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.3 mt -53.31 -45.15 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.45 144.54 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -81.53 160.89 23.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.86 17.25 8.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.37 133.16 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -107.66 171.08 7.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -137.14 165.54 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.53 -37.28 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.18 -17.67 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -93.67 10.19 33.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 mt -143.0 103.53 5.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.2 p -93.51 -29.37 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -70.42 -35.65 73.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -71.65 -45.84 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.581 0.705 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -158.2 147.64 19.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -165.56 135.21 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -124.72 144.17 50.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.6 mt -111.41 142.5 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -127.97 146.55 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.87 144.67 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.53 177.51 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.54 17.49 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 -41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -155.89 -178.06 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mm -105.75 141.07 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -121.94 100.34 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tp -97.83 124.56 42.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -110.0 139.27 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -126.7 127.11 69.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -90.16 129.67 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.728 0.299 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -175.12 80.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -74.77 132.15 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 141.46 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.43 129.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.14 -171.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.15 -34.87 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -140.22 -51.11 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.76 171.15 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.92 135.88 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.46 120.14 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -96.67 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -103.88 -18.86 14.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.91 153.12 5.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.418 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.08 166.88 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.74 -4.82 14.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -108.89 128.96 55.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -94.49 132.89 38.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.79 143.3 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -122.4 116.3 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.78 121.49 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -115.61 103.15 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 11.2 m-85 -95.59 155.02 39.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.72 -7.94 22.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -111.33 -172.91 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.3 120.17 29.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.99 175.77 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.7 tt -137.28 144.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.51 95.13 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.07 -167.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.06 -28.72 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -32.26 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -51.63 132.5 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -179.61 164.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.4 142.82 50.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -121.81 133.14 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.54 126.57 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.15 121.06 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -85.57 -38.04 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -30.12 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -122.47 -5.49 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 59.81 25.79 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.56 159.65 17.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mm -106.71 134.17 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.77 123.29 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -116.74 125.0 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 140.58 46.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.6 131.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.71 147.23 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -101.31 155.93 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 mt -71.16 -27.8 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.47 129.83 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -75.18 161.59 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.15 17.16 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -93.07 137.3 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -113.37 -178.6 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -133.19 153.51 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 17.06 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.89 -28.53 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.89 -21.29 57.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.91 -27.17 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.8 118.52 40.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.45 21.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.9 p -93.61 -36.18 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -51.21 -35.39 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.59 -42.91 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.98 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 153.52 31.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -167.36 140.78 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.46 140.09 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mt -111.08 142.1 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 m -129.03 146.03 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.86 144.16 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.03 176.94 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -91.99 17.33 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -143.39 -41.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -155.05 -179.48 8.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 mm -103.67 141.52 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -119.0 98.99 6.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -95.36 122.81 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -109.9 143.28 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -126.65 133.66 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -99.97 119.88 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.0 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -174.91 72.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -79.27 131.84 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.41 154.89 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.8 131.59 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.5 OUTLIER -76.01 -171.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.0 -37.06 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -138.31 -50.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.406 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.3 ptm -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 mt -115.98 138.45 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.5 mm -107.91 120.5 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -100.13 101.86 13.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.99 -17.56 18.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.14 156.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.29 166.04 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.75 129.1 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -93.05 130.0 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.6 tp -128.7 147.04 50.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.75 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.5 mt -119.81 113.46 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -108.91 105.15 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.449 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 13.9 m-85 -95.53 156.23 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.77 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -113.34 -173.06 2.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -125.41 120.26 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.79 173.83 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -135.33 144.72 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.58 106.32 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.8 -167.07 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.73 -34.58 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -37.91 86.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 p -51.88 132.08 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -178.84 166.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.7 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -122.72 145.85 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -88.03 126.68 35.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.57 118.14 36.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.19 -25.94 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -31.95 64.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.08 3.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 59.89 31.25 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.5 m -110.79 172.35 6.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -120.68 132.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -110.31 122.24 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.28 125.32 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.32 140.91 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.7 p -144.25 130.04 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 146.36 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 161.74 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.97 -43.05 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.26 119.69 35.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -64.66 161.57 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.86 17.24 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.41 127.24 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -104.95 179.36 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -131.82 148.59 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -123.26 16.97 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -117.95 -14.8 10.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.66 -12.87 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.75 -23.71 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.71 108.66 62.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.11 22.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 p -95.86 -29.1 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.24 -24.22 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.94 -47.01 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.838 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 154.13 34.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -167.88 130.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 142.09 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.2 mt -111.98 143.74 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -126.63 155.84 41.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -113.33 144.52 42.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.6 177.14 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.66 27.04 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -154.61 -40.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -157.02 -175.95 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 mm -103.02 141.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.74 97.9 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 tp -97.03 124.4 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -109.13 137.9 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.36 128.77 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.41 129.37 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -173.75 83.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.72 131.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.65 155.84 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -117.33 129.33 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -168.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -51.95 -35.57 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -141.72 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ptm -73.58 170.61 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.26 137.15 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.7 mm -109.48 120.15 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -96.95 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.48 -18.92 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.54 153.19 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.76 166.88 0.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.853 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.76 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -108.57 129.05 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -94.87 132.52 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.32 143.37 50.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -125.72 116.67 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.74 134.52 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.45 106.6 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 5.9 m-30 -95.54 156.97 36.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.672 0.749 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.8 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.85 -171.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.6 122.47 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -102.96 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 tt -139.29 142.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.23 102.62 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.97 -167.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -28.28 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -30.49 71.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 p -51.09 131.48 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.2 t -178.95 166.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.95 143.28 42.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -122.02 132.8 54.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.8 127.47 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.41 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 p -87.35 -33.74 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -30.62 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -129.32 4.61 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 51.81 30.74 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.63 156.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.26 133.45 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -109.13 121.91 46.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 t -118.12 129.73 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.96 139.1 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.66 125.98 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.84 134.31 39.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -92.74 167.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.93 -33.15 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.98 126.2 39.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -65.17 164.61 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.71 20.64 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -86.38 144.98 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -122.46 173.82 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -136.32 169.19 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -131.37 -42.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 -21.32 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.96 10.96 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.74 104.02 6.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.8 p -97.99 -8.66 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -95.96 -37.17 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.46 -45.36 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.587 0.708 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.88 153.47 26.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -170.6 136.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.72 145.43 49.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -112.54 143.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -127.78 145.32 50.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.11 144.54 38.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.54 171.73 13.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.45 6.56 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.01 -36.11 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.1 -174.02 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mm -104.48 141.16 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -123.36 100.63 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.98 122.83 42.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -109.99 139.84 44.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -121.6 130.46 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -92.49 124.53 36.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.2 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.51 65.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -66.68 132.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -125.37 151.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.46 131.7 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -171.26 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.3 -35.3 50.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.45 -50.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptm -75.52 171.67 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.65 139.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.7 mm -108.36 119.94 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -97.57 100.33 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -98.42 -18.71 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.85 153.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.422 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 63.79 166.77 0.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.664 0.745 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.74 -4.86 14.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.28 128.73 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -94.47 129.5 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.48 145.52 51.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.0 130.95 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -118.25 115.68 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 104.36 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 15.9 m-30 -95.03 155.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.8 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -114.26 -172.15 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -126.83 122.9 36.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mt -99.34 177.85 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 tt -135.74 140.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.72 98.35 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -169.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.4 -26.01 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -35.04 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.13 132.07 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.2 t -179.92 166.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.49 142.78 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.57 133.47 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.74 126.83 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 118.32 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -31.8 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -32.8 50.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -125.35 -1.32 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 26.59 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.54 161.04 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.2 mm -110.28 133.41 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -110.3 123.53 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.39 124.81 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 140.61 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.34 130.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.84 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -100.29 147.07 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -51.98 -30.59 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.87 136.33 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -76.49 161.96 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.97 19.39 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.42 140.09 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -118.51 -175.27 2.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -135.09 156.04 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.79 9.39 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.28 -14.49 9.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.26 -15.05 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -77.37 -25.17 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.86 117.43 50.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.693 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.53 10.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 p -65.74 -35.5 80.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.54 -20.4 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mt -87.38 -43.99 11.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.566 0.698 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -157.22 141.02 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -156.63 133.7 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -124.97 143.14 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 mt -112.15 142.48 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.09 146.47 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.43 144.37 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.77 177.47 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.49 16.36 12.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -143.01 -40.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -155.62 -177.26 6.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mm -104.92 141.19 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -119.73 95.39 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -97.26 122.97 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.81 141.45 42.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mp -125.18 116.39 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.7 123.86 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -173.93 82.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.5 mt -77.33 131.95 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.32 140.2 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.23 129.36 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -169.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.38 -36.63 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -137.05 -49.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.2 ptm -76.64 172.67 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 93.0 mt -120.33 136.38 57.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.9 mm -108.16 120.3 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -97.89 102.12 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.68 -18.99 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.04 156.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.23 166.38 0.11 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -5.34 15.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -110.84 128.92 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -94.31 129.34 41.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.2 tp -128.61 146.03 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 132.75 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -121.85 122.43 39.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -116.27 108.06 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.441 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 15.1 m-30 -96.04 156.04 37.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.77 -7.29 20.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -115.56 -172.14 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.33 123.0 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -102.33 -175.4 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.96 144.73 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.86 106.23 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.35 -166.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.56 -33.42 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -36.1 82.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 p -56.71 132.18 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 t -173.12 158.94 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.6 143.38 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.36 132.15 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -87.38 126.82 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -107.24 113.66 27.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -83.56 -32.99 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -24.52 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.41 3.35 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 52.01 29.6 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.5 t -111.46 155.11 23.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.7 mm -109.96 132.78 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -110.12 123.66 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 125.28 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -104.99 140.05 38.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.03 126.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.22 134.39 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.58 155.6 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.5 mt -68.7 -46.33 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -114.53 127.33 55.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.38 161.01 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.47 16.78 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.08 126.21 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -104.0 179.24 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -134.58 155.87 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -127.18 14.9 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.73 -19.61 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.06 -15.62 59.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.98 14.11 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.9 mt -138.5 106.51 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.99 17.56 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.32 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.8 p -93.62 -34.79 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -56.97 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -49.11 68.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.57 0.7 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.02 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.92 159.72 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -173.05 131.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.4 m -124.6 142.47 51.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -111.12 142.96 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -127.66 145.94 50.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -106.99 144.25 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.13 176.01 7.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -92.38 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.91 -39.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -157.43 -175.39 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mm -106.54 141.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -121.2 104.08 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tp -99.61 124.48 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -110.03 137.93 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.25 133.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.23 128.85 38.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -174.46 79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.72 131.99 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.44 140.32 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.18 130.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -75.99 -173.26 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.04 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -140.05 -52.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.424 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.29 170.05 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -116.48 135.74 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.85 120.44 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -96.62 107.18 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -106.57 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.8 154.54 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.68 166.85 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.8 -4.87 14.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -110.45 129.07 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -94.56 133.8 37.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.19 143.17 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.71 115.71 22.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.3 127.5 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -120.78 103.42 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.433 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 11.9 m-85 -94.36 155.76 39.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.71 -7.22 20.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -117.37 -171.95 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.46 125.35 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mt -101.24 179.7 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -138.13 142.56 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.14 100.98 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.63 -167.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -71.0 -24.84 62.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 p -63.91 131.95 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -178.25 163.24 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.72 142.75 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -123.06 131.19 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.15 129.4 35.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.05 122.99 48.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.2 p -86.83 -40.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -26.73 33.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -115.75 -14.75 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.76 25.8 14.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 173.24 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.7 mm -122.35 132.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -109.81 124.45 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.01 125.56 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.32 140.53 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -155.82 124.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.0 152.73 32.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.46 168.64 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.6 mt -74.73 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.6 142.65 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.16 159.09 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.58 18.06 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -94.12 148.62 22.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -129.46 -170.67 2.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -135.13 155.27 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -118.27 -8.46 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -97.24 -25.56 15.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.04 -19.87 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.56 111.41 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.8 p -95.3 -22.79 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -75.05 -26.52 59.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.65 -50.41 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.612 0.72 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.04 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -153.5 151.74 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -166.88 141.76 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.84 140.17 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.94 142.08 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.5 145.73 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -114.78 143.85 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.13 172.08 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.15 9.0 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.25 -38.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -163.13 -176.62 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -105.85 141.67 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -120.48 100.49 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.16 122.9 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -110.16 142.29 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mp -127.75 132.71 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -94.19 113.23 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 pt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -176.24 88.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -95.36 131.69 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.6 155.83 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -110.45 130.2 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -169.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -52.42 -36.44 54.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -140.0 -49.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptm -76.56 175.91 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.01 138.63 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.32 120.72 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -98.88 105.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -102.32 -18.1 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.74 156.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 60.63 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.74 -5.62 16.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -109.22 129.23 55.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.29 129.95 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.96 148.64 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -124.15 130.92 53.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -117.24 115.65 25.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.96 104.96 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 18.2 m-85 -96.52 155.36 37.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -110.76 -172.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -127.61 118.56 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mt -97.46 176.99 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -138.31 142.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.56 105.37 17.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.76 -165.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.82 -33.98 75.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.39 83.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 133.68 52.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -178.33 170.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.69 142.81 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -122.01 132.79 54.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -86.98 130.74 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.45 123.22 48.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -32.3 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.21 33.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -133.15 5.41 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 51.73 32.18 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.19 162.38 14.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.96 132.11 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.97 122.74 48.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.28 123.59 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 140.0 48.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.34 135.91 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.12 144.6 42.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -101.08 146.55 27.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.74 -44.28 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -119.5 126.28 50.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.8 162.44 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.2 18.42 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.18 131.98 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -109.83 177.44 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -134.12 146.08 49.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -118.15 13.93 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.48 -18.82 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 mp -64.7 -19.59 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.94 -18.62 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.04 111.06 40.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.2 p -94.29 -21.97 18.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -67.01 -27.33 67.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.07 -47.54 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.1 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.61 0.719 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -153.17 154.32 34.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -169.49 137.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -124.04 138.83 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -111.15 142.19 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -128.28 147.3 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 143.72 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.04 172.92 11.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -89.6 11.91 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.64 -38.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -161.75 -178.14 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mm -106.25 141.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -120.79 100.53 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -93.66 123.41 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -110.06 137.54 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.99 131.65 71.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -94.06 104.3 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -158.52 81.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.75 132.15 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.71 144.65 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.26 131.86 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -75.59 -170.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.31 -36.56 63.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -137.08 -50.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.413 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.2 ptm -76.58 172.19 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -119.63 137.32 53.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 120.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.91 103.02 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -99.65 -18.46 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 153.91 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.402 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 64.46 166.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.79 -5.14 15.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.97 128.74 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -92.98 129.91 38.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -128.64 143.16 50.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -119.36 133.08 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.7 116.48 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m-85 -96.24 156.08 37.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.37 -172.57 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -125.19 123.88 40.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.19 177.87 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.85 144.21 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.48 99.07 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.86 -167.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -68.58 -28.71 67.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -32.71 72.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -60.54 133.28 55.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.18 161.94 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.72 143.2 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -121.93 131.75 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -87.29 126.97 35.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -101.42 120.2 39.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -85.81 -49.43 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -21.97 18.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -116.61 -12.24 10.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 58.31 24.39 11.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.9 p -112.35 164.92 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.13 132.51 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.17 124.56 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 t -115.83 125.53 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 141.17 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 p -154.14 131.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.08 151.94 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -177.35 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -96.52 -27.72 14.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.74 112.32 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -58.87 162.67 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 20.83 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -99.8 132.42 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -108.19 176.22 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -130.37 154.85 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -115.3 -39.63 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.05 -25.03 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.93 -25.02 64.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -67.58 -27.22 66.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.78 117.89 41.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -93.13 -22.69 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -25.22 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.29 -40.77 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -49.09 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.14 152.81 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.37 144.18 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.93 139.79 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -110.87 141.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -129.51 145.66 51.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.17 144.34 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.52 176.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -92.4 19.59 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -145.09 -41.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -155.12 -178.6 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.88 141.99 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.46 100.7 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -96.89 123.17 40.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -109.8 142.9 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.92 128.03 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.11 115.77 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -177.47 82.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.45 132.65 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -125.37 155.42 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.45 128.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 21.3 mm100 -74.55 -173.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.41 -36.24 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.78 -51.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.464 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.12 170.07 16.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -119.54 138.26 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.59 119.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -98.43 104.6 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -100.59 -18.95 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.71 158.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.405 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 60.96 165.92 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.77 -5.31 15.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.23 . . . . 0.0 112.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -111.43 129.32 56.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -92.84 130.11 38.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -129.14 143.26 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -122.71 129.28 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.6 mt -117.33 128.45 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -120.5 106.56 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 13.9 m-85 -96.43 156.56 36.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.4 Cg_endo -69.78 -6.51 18.79 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -113.53 -171.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -128.01 122.09 31.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.76 -176.16 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 tt -147.14 144.27 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.09 107.43 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.46 -166.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.96 -36.44 83.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -32.06 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -51.1 132.92 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -178.13 166.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.17 143.06 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -121.97 133.42 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.38 126.69 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.95 121.62 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -86.39 -36.85 18.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -30.44 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -124.54 -3.09 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 57.96 27.45 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.0 p -111.67 156.29 22.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.4 mm -103.59 134.14 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -108.91 122.32 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.1 t -117.2 124.99 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 140.61 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.16 132.46 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.26 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 144.35 27.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 mt -55.76 -35.06 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -130.61 136.47 48.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -72.3 161.87 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.03 21.51 11.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 135.97 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -121.96 -174.98 3.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -133.96 161.4 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.19 9.03 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.62 -30.2 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.32 -26.66 12.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.49 -24.19 54.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 119.61 33.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.6 p -94.24 -28.81 15.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -56.78 -23.51 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.05 -43.53 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.59 0.71 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -160.19 161.8 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -171.68 147.46 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.13 139.0 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mt -111.15 142.71 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -128.27 146.63 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -111.0 144.21 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 168.4 18.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -86.79 7.61 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 -34.21 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -168.87 -174.49 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 mm -106.16 142.69 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -124.55 99.9 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -94.39 123.78 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -110.1 136.39 49.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.15 145.0 30.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.67 131.92 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.841 0.353 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.22 82.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -79.75 131.38 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.15 152.73 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -110.18 129.1 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -170.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -51.81 -33.93 37.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -142.69 -50.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptm -74.64 173.5 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.44 136.37 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -108.26 120.7 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -98.39 106.24 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -104.86 -18.4 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.26 156.92 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.416 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.3 166.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.77 -5.58 16.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.78 128.51 56.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -94.64 131.61 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.6 tp -129.13 146.68 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.11 125.31 46.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.8 mt -113.68 125.42 54.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -118.19 106.24 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 12.9 m-30 -95.61 155.67 38.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -109.95 -172.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -125.22 121.19 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.02 -178.92 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -141.26 144.86 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.14 103.57 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -167.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -25.01 67.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -35.27 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.88 131.67 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -179.8 167.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.65 142.77 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -121.9 132.1 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.68 126.93 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -105.75 121.89 44.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -86.78 -34.03 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -31.68 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -125.44 -0.23 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.81 28.49 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.54 156.84 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.7 mm -105.22 134.1 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.78 121.91 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.69 127.06 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.23 140.23 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.03 133.24 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.9 133.31 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 150.94 22.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.36 -27.35 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -137.04 129.31 29.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.99 162.81 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.11 20.55 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.64 127.78 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -108.62 174.36 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -133.15 169.26 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -129.27 -38.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.6 -20.85 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.33 -16.22 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -89.97 13.59 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.6 mt -141.56 102.58 5.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -6.31 18.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.9 p -98.1 -7.23 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -87.25 -36.0 18.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.06 -34.47 64.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 146.37 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -162.6 133.26 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.62 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mt -112.33 143.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 m -127.88 145.91 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.01 144.46 43.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.87 172.43 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -87.92 8.41 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.64 -36.67 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -166.89 -179.12 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -100.29 141.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -123.22 96.96 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -97.64 123.47 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -109.77 138.5 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.937 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -119.65 119.5 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.28 99.76 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.777 0.323 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -165.97 68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.47 131.98 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.97 153.9 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.81 129.63 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.0 mm-40 -73.27 -172.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.29 -37.33 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -139.36 -49.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.426 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.2 ptm -74.9 167.96 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.42 136.85 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.33 119.73 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -100.05 105.59 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -20.49 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.52 154.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.12 167.01 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.695 0.759 . . . . 0.0 110.832 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.71 -5.72 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.84 128.58 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -94.07 133.82 37.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.16 142.83 51.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 tpp85 -123.42 113.42 18.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -105.38 122.33 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -114.65 105.62 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 12.9 m-30 -96.16 155.54 38.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.69 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -113.96 -172.75 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.45 121.67 36.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.09 176.73 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -140.86 144.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -103.93 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.22 -167.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.96 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.49 133.0 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -172.23 162.1 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 143.14 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.67 131.23 53.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -88.47 126.99 35.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -101.59 121.63 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.4 t -87.44 -44.51 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -19.63 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -123.69 -5.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 52.44 28.43 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.9 t -112.84 155.51 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.78 131.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -111.31 124.3 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.53 125.96 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.75 140.6 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.67 128.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.0 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -93.69 141.96 27.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 mt -51.63 -30.75 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.01 125.36 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -67.85 163.0 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.09 19.71 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.19 131.9 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -109.81 -177.38 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -132.78 160.67 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 14.57 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.33 -17.98 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.35 -13.54 58.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.07 -9.96 59.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -116.88 107.57 45.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.34 20.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.9 p -100.44 -29.94 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -66.09 -24.74 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -84.85 -44.03 13.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -159.07 148.52 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -163.88 138.55 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -124.12 144.03 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mt -112.25 142.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.29 145.96 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.35 144.79 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.05 174.61 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.46 8.29 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.99 -37.45 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -164.8 -175.3 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -105.09 141.32 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -123.66 101.53 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.54 123.63 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -109.99 141.41 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.73 128.58 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -90.82 118.93 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.773 0.321 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -165.97 85.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.59 130.79 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.42 152.89 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.21 130.34 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.16 -172.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.07 -35.14 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -140.96 -51.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptm -75.52 173.88 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.66 138.41 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.74 119.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -98.62 103.93 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -101.42 -18.07 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 152.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 61.75 167.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.79 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -108.97 128.54 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -95.39 129.81 42.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 tp -128.66 147.98 50.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -121.84 130.82 53.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.5 mt -116.84 110.53 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -105.3 104.75 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 15.3 m-30 -96.12 155.22 38.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -113.97 -174.08 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.75 118.18 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.15 -175.32 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.3 tt -144.1 143.18 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 103.35 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -167.46 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.54 -32.0 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.97 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.9 m -64.29 132.0 48.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 t -178.49 163.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.61 142.01 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -123.46 149.51 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.92 127.35 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.31 118.24 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -87.75 -32.48 19.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -28.82 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.31 6.7 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.31 28.63 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 p -109.07 168.33 9.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 mm -115.96 132.57 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.46 125.01 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -114.39 125.96 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 140.35 45.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 p -149.57 127.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.76 149.22 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -107.41 140.61 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt -51.69 -48.0 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -110.6 118.69 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -66.32 158.59 28.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.29 16.26 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -92.05 139.12 30.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -113.68 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.08 161.12 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.52 10.46 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.06 -26.27 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -57.32 -23.74 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.33 -22.73 66.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.83 113.71 44.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.643 0.735 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -9.25 25.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.4 p -92.85 -18.06 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -71.31 -22.15 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.57 -48.57 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 53.9 Cg_endo -69.78 -81.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.284 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.456 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 3.2 mpt_? -138.39 148.76 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -162.04 145.35 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.44 140.11 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -108.51 141.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -129.1 147.21 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.89 144.13 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -128.02 178.86 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.33 29.04 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -155.14 -40.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.96 178.61 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.43 141.95 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.6 106.32 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -97.85 124.99 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 134.19 52.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.03 132.63 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -97.07 134.64 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -175.17 67.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.9 mt -70.99 132.48 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.73 155.73 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -114.81 132.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.58 -172.37 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -37.18 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -137.68 -51.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.2 ptm -75.31 171.5 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.2 138.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.95 120.37 59.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -98.85 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -102.71 -18.86 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 154.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.37 166.42 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.81 -4.97 15.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.37 128.75 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -93.25 131.31 38.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -129.13 148.49 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -122.65 130.21 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.5 mt -116.66 114.67 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 103.89 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 17.9 m-30 -95.78 155.06 38.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.75 -8.03 22.55 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -112.91 -173.24 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 124.32 42.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -106.36 173.09 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tt -136.02 144.4 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.43 105.59 17.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 -168.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -68.53 -25.51 64.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -28.86 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -66.4 132.45 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -179.17 161.12 1.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.03 148.54 45.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.55 127.25 35.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.22 114.41 28.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -85.0 -30.38 24.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.82 54.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.83 6.02 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 53.66 26.99 6.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.87 168.97 8.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mm -117.21 132.85 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -109.84 124.5 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 t -114.46 125.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.27 139.23 46.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -148.76 135.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.75 147.55 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 172.02 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 mt -86.73 -34.62 19.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 117.13 23.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -63.8 161.25 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.95 17.33 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.05 144.09 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.3 -174.06 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -132.77 159.53 39.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.2 22.14 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.08 24.53 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.1 mt -101.87 -3.95 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -92.4 -15.21 27.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -108.07 102.78 47.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.76 -7.71 21.76 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.9 p -99.25 -19.94 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -67.61 -40.91 84.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -52.13 50.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.537 0.684 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.68 -83.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 1.4 mpp_? -135.34 162.02 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -164.88 147.83 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.9 139.12 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -111.7 142.86 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -128.23 146.64 50.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.0 144.38 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.2 175.15 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -89.85 12.6 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.54 -39.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -160.83 177.62 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -102.78 141.32 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.02 101.9 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.32 123.21 38.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -110.49 135.46 51.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.49 133.91 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.26 119.66 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.828 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -166.76 89.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -82.36 131.88 32.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.39 145.05 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.98 130.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.62 -169.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.02 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -139.16 -49.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -76.62 170.91 15.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -116.36 132.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 mm -104.0 120.28 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -100.2 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -102.33 -18.4 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.1 153.72 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.422 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 62.64 166.75 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.2 Cg_endo -69.76 -5.1 15.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -109.46 129.46 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -94.25 134.41 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.74 143.75 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 113.01 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.3 mt -103.75 119.38 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.78 97.1 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 14.9 m-30 -85.68 156.77 58.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.74 -6.83 19.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -117.4 -173.65 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -121.59 123.11 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.31 172.9 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.97 142.37 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 98.7 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.22 -167.28 1.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.55 -25.59 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -32.34 63.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 t -64.26 132.56 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.22 161.03 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.84 141.78 50.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -123.49 136.78 54.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -86.45 127.3 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.75 118.51 36.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 p -86.35 -38.41 17.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -30.14 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -119.74 -8.4 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.94 25.04 14.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.6 p -109.94 169.12 8.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.68 133.28 62.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.79 124.84 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.49 127.62 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -111.34 141.17 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.65 127.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 150.39 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 mt -80.14 -17.01 53.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.69 123.09 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -65.29 163.8 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.58 18.72 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -95.76 140.28 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -117.88 -177.35 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.94 163.47 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.11 14.94 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -136.18 26.66 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.88 7.4 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.79 15.13 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -129.42 99.85 20.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.694 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.4 Cg_endo -69.85 -6.83 19.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.282 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -94.39 -36.72 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -65.19 -39.58 93.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.78 -43.08 69.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.539 0.685 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.43 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.53 144.61 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -161.01 133.22 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 138.17 54.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -111.72 143.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 146.51 50.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.92 143.87 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.21 169.39 16.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -86.33 6.84 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -126.7 -36.44 2.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.53 -176.52 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mm -105.11 141.76 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -124.76 110.58 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.44 124.72 47.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -109.5 139.14 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.81 124.17 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -88.5 135.07 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -174.58 88.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.7 mt -89.69 130.98 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.43 154.14 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -107.95 130.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -170.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.33 -35.92 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -141.33 -49.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.1 ptm -75.57 174.11 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -117.79 137.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.0 mm -108.86 120.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.6 101.16 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.26 -17.39 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.88 151.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 62.32 167.65 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.865 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.76 -5.54 16.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -107.13 128.94 54.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -94.7 129.41 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.78 143.43 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -119.86 135.21 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -124.97 115.18 20.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -108.42 109.65 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.459 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 17.2 m-30 -96.47 156.66 36.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -6.2 18.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -118.28 -171.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -124.11 123.92 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.14 -175.5 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.99 143.81 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.68 107.78 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 -172.87 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.27 -35.9 76.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -37.62 82.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.02 132.49 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -173.44 164.97 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.17 143.2 50.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -122.35 131.85 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -87.83 127.0 35.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -102.5 118.07 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -86.49 -42.51 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -19.56 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -123.98 -5.87 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.92 26.45 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.76 161.86 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.2 mm -117.07 132.16 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -110.31 123.97 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.5 t -115.99 130.75 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -111.29 140.18 46.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -145.13 124.97 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.33 134.27 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -94.1 143.64 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.47 -42.85 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.6 140.39 51.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -77.59 162.05 27.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.63 17.73 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -89.82 116.13 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -94.32 173.88 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -134.07 159.92 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -118.67 -43.45 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.14 -17.2 57.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.35 -14.44 56.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.14 9.47 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.06 102.85 9.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.27 20.62 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -95.17 -23.54 17.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -80.61 -27.46 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.97 -42.38 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.866 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.1 mt -125.04 124.11 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 170.08 146.38 0.11 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.571 0.701 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.77 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -157.16 146.26 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -161.86 131.62 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -124.53 140.36 53.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 mt -111.83 143.12 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.64 146.3 50.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -111.48 144.25 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.03 177.65 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.77 17.93 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -142.36 -41.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.77 -176.53 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mm -106.05 141.39 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -122.56 101.82 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 tp -99.2 124.26 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -110.28 137.9 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -125.33 130.94 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.54 131.24 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt -150.59 154.21 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -175.96 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -94.23 34.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -174.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.49 103.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -113.7 90.55 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -70.64 157.91 37.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.37 21.51 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.63 -26.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -12.22 53.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.51 119.87 11.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -179.14 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -82.33 132.79 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 139.12 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.42 130.04 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -75.22 -171.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -34.98 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -139.26 -51.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptm -75.77 168.56 19.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.5 mt -116.61 136.22 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.7 mm -107.71 120.48 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.45 104.48 16.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.06 -18.73 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.77 154.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.45 166.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.67 0.747 . . . . 0.0 110.849 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.73 -5.8 17.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.286 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.26 129.18 55.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -93.84 133.02 37.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.73 142.85 50.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 118.63 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 69.5 mt -108.45 123.37 48.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.36 103.36 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.424 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 9.0 m-85 -95.37 155.52 38.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.79 -7.34 20.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -112.55 -172.44 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -125.3 123.72 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mt -102.7 174.1 6.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.6 tt -137.28 144.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -101.93 105.8 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.83 -168.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.35 -28.43 67.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.93 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 p -61.38 132.32 53.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 t -178.56 163.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.83 142.89 51.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -122.45 136.42 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -86.65 127.02 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.62 118.21 36.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 p -86.02 -37.14 19.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -29.99 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.02 -2.59 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 58.52 26.03 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.9 p -108.18 167.51 9.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.3 mm -116.73 133.59 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -109.06 124.56 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.27 125.0 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 139.39 47.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.79 128.73 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.34 152.0 38.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -103.7 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 56.0 mt -87.52 -23.8 24.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.04 123.68 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.36 159.23 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.68 16.96 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -96.48 150.99 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -126.71 -171.84 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -133.67 159.27 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.42 17.57 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.29 -29.82 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.5 mt -54.89 -24.4 23.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -63.49 -29.23 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.45 136.06 22.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -48.94 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 p -57.84 -36.22 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -57.18 -22.74 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.5 -43.03 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.86 -37.75 87.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.76 40.43 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -66.92 176.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -112.22 -25.28 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.16 -148.39 42.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -106.89 23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 51.49 29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 106.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.27 146.92 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.88 104.65 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -135.63 147.86 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -144.83 160.57 41.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -140.74 141.97 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 t -140.0 104.52 4.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -110.67 133.51 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -90.38 147.56 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -85.39 161.56 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -81.05 145.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.46 -52.31 7.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -64.35 118.59 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -126.21 153.86 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.9 m -121.6 132.3 54.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -118.9 102.07 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -133.48 70.06 76.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -176.52 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.3 pp -173.77 144.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.0 mt -120.53 107.68 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.39 158.31 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -145.27 144.39 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 p -156.6 137.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 pm0 -55.35 172.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.7 p -146.23 164.83 31.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -89.35 153.3 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.16 137.1 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.32 176.87 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.101 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 56.9 p -115.09 -26.56 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -61.52 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.6 mt -114.62 -32.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -50.72 145.87 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.159 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.244 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.22 151.53 26.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.07 138.18 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 140.23 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -110.49 141.96 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.99 146.39 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.8 mp0 -111.47 144.29 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.42 -166.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.02 21.97 16.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.95 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.06 -177.33 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.45 142.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -120.86 99.79 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -92.44 124.11 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -109.17 134.54 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.53 128.67 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.5 116.82 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -137.71 159.45 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -80.57 -176.47 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -94.92 21.34 7.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pp -59.9 -177.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -51.8 103.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -107.45 88.04 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 m -71.69 164.16 26.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 25.87 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 m -113.55 -10.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.15 -7.31 21.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 mt -71.78 117.29 13.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -174.46 84.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -80.94 132.16 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.55 138.78 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.97 129.54 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 10.0 mm100 -75.77 -174.17 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.57 -37.25 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -137.15 -52.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.9 ptm -74.77 168.96 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.9 mt -117.43 137.49 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.2 mm -108.56 119.44 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -95.58 106.59 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -104.8 -18.21 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.8 157.31 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 62.72 166.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.78 -5.76 16.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.96 129.04 56.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -95.15 130.54 41.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 37.0 tp -129.21 148.89 51.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -125.19 128.83 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -116.34 124.44 50.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -118.48 104.96 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.44 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 10.4 m-30 -95.14 155.89 38.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.8 -7.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.71 -171.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -124.99 121.52 34.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -99.93 -177.22 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.4 tt -148.69 144.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.89 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.7 -168.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.09 -28.3 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -60.87 132.89 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -174.74 166.68 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.44 143.21 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -121.9 133.48 54.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -86.91 127.17 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.07 121.0 44.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.6 p -88.47 -31.94 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -27.81 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -128.26 1.84 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.96 30.18 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 72.2 m -111.38 170.51 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.48 133.38 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.99 123.83 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.22 127.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 139.49 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.6 t -139.32 131.52 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.49 134.0 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.79 150.84 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.02 139.62 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -80.08 160.73 25.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.38 19.29 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -91.37 145.4 24.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -129.3 178.45 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -130.3 152.83 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.77 -13.94 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -90.26 -26.03 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -58.11 -21.98 48.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.76 -24.27 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.41 116.51 56.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.59 26.47 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 p -97.75 -33.14 11.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -67.03 -17.85 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mt -90.73 -42.98 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.05 -39.16 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.19 37.23 8.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -114.92 163.18 15.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -55.53 -63.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 65.86 -122.99 23.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -124.96 103.24 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 -16.76 53.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.39 160.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.62 46.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.59 109.24 12.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -96.45 162.41 13.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.84 148.81 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 pp -144.87 158.57 43.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 109.32 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -141.6 147.67 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.05 156.25 9.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -134.69 113.26 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.87 144.78 32.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.17 169.36 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -122.6 115.61 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -106.63 138.57 42.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -146.07 150.3 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -107.45 109.37 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.75 68.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.18 12.99 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.37 107.77 8.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.56 107.43 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -137.75 133.83 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -148.7 151.37 34.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 23.0 m -119.07 152.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -118.81 150.14 40.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.4 m -102.94 108.77 20.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -127.84 114.28 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.92 -151.27 16.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.5 m -113.14 167.99 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.2 t -120.06 109.17 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -157.24 176.67 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.5 -41.47 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.48 146.46 9.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.75 -85.75 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -124.5 153.51 41.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -163.23 139.89 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -124.42 138.76 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.46 142.21 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.05 146.71 50.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -115.43 143.68 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.77 176.41 7.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.06 19.75 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -143.91 -40.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -157.41 179.05 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.9 mm -106.29 141.96 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -122.47 108.25 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.5 tp -99.02 124.47 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -109.46 137.38 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.04 138.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.51 131.21 46.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 pt -151.05 161.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -88.06 -171.47 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -94.95 20.43 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 pp -59.09 -176.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -52.19 102.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -106.44 91.41 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.5 m -72.37 163.37 28.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.68 21.49 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 t -111.66 -29.6 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.81 -7.96 65.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -73.02 114.23 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -174.19 84.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.51 131.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.16 137.34 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.03 129.56 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.88 -35.55 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -138.38 -51.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -75.07 174.52 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.8 mt -123.42 136.79 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.41 120.52 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -96.42 101.34 12.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.43 -18.13 17.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.76 158.87 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.52 165.65 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.63 128.94 56.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -92.94 130.32 38.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 tp -129.15 146.77 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -120.38 132.42 55.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.3 mt -120.04 115.48 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -110.88 103.51 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -95.76 154.73 39.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -10.21 28.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -110.22 -172.76 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.2 125.33 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.28 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.6 tt -145.63 144.33 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -100.63 106.77 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -116.12 -168.47 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.94 -26.34 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -31.06 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -65.89 132.86 49.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -178.77 162.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.97 141.82 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -123.42 150.14 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -87.34 127.0 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.83 117.19 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.4 p -89.17 -32.36 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -30.6 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -125.62 -1.45 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.0 27.57 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.3 m -111.55 176.65 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.0 mm -121.64 133.09 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.6 124.51 51.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.52 128.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.39 140.42 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 p -151.12 131.25 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.47 151.49 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 166.69 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.6 mt -84.33 -39.2 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.31 118.06 27.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.34 162.55 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.37 17.41 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.16 124.89 41.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -100.86 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -132.29 155.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -116.25 -41.89 3.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.53 -22.62 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.0 mp -62.58 -22.37 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -71.55 -28.92 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.88 117.8 47.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.81 27.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.5 p -95.06 -16.06 22.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -72.21 -22.51 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -86.67 -47.24 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.65 -30.81 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.81 105.22 15.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.59 166.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.46 111.08 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.08 64.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -96.75 29.08 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.37 25.33 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.63 -22.42 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.91 149.82 5.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.41 102.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -114.56 117.69 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.07 152.95 25.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -117.94 153.78 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -155.84 117.78 4.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.21 144.01 28.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.55 162.76 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.5 m -99.09 -20.89 16.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 58.72 45.11 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.38 141.56 28.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -132.45 164.22 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.2 p -86.96 132.91 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -146.22 101.5 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -138.39 68.36 46.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -171.63 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.6 tt -137.92 115.41 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.68 116.59 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -99.09 147.24 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.65 135.38 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.4 t -117.39 50.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -132.91 129.19 38.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 34.2 m -128.25 132.14 48.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.13 120.48 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.9 120.24 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.04 138.21 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 p -129.81 155.58 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -124.18 164.0 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.2 mt -91.52 -32.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -54.68 145.26 41.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.29 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 146.04 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -157.96 135.79 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 138.56 54.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 mt -111.98 143.12 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.05 146.48 50.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.94 143.98 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.27 173.77 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.98 13.98 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -137.38 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -158.82 -177.5 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.16 141.82 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -121.26 108.82 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.5 tp -98.9 123.65 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -110.54 134.8 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.62 123.1 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.01 113.89 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 pt -144.14 -177.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.0 59.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -123.59 131.5 72.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.87 19.99 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -89.67 85.66 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.84 -16.42 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.65 24.21 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.22 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.43 -10.89 76.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.82 125.04 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -172.62 83.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.7 mt -87.97 131.9 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.2 151.87 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.02 130.03 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.9 -171.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.02 -36.39 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -139.39 -50.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptm -74.91 173.43 10.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -121.21 137.25 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.2 mm -108.12 120.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.74 104.16 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.9 -18.54 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.2 155.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.89 166.74 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -4.59 14.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -110.24 129.07 55.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -94.19 130.44 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -129.26 143.47 50.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -119.0 132.36 56.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -119.7 116.84 26.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -111.64 105.06 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 12.2 m-30 -95.71 155.11 38.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -8.38 23.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -114.28 -173.18 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -124.41 120.56 32.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 mt -96.96 -179.67 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.53 143.42 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.66 98.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.74 -173.55 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.25 -33.0 73.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -36.25 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.06 133.3 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -177.73 161.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.7 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -123.16 147.65 46.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -87.77 127.11 35.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.67 117.02 32.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 p -86.89 -44.54 11.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -20.7 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -122.93 -6.56 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 56.47 23.55 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.71 175.92 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 19.7 mm -122.73 131.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -110.78 124.38 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.65 129.37 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.87 140.53 46.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.4 p -150.41 128.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.61 150.99 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.16 157.95 16.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.1 mt -69.77 -23.79 63.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.05 127.16 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -69.98 162.69 27.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.06 18.93 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -89.65 138.91 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.96 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -133.22 154.24 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -127.23 -1.87 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.32 17.44 22.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 55.8 mt -92.01 3.98 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.19 14.56 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.2 mt -129.88 101.21 18.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -5.68 16.76 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 p -95.72 -29.7 14.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.56 -38.02 59.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 mt -69.44 -46.42 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 mp -56.31 -51.85 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 62.1 41.84 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -142.48 154.8 44.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -90.09 128.57 36.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.21 178.73 26.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -53.05 103.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.29 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.62 81.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.28 25.17 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -95.23 132.29 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -117.59 169.92 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -153.11 144.33 23.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 p -137.51 108.1 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.07 167.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -145.74 166.33 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.8 m -95.67 129.85 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.61 155.74 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.48 120.9 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -13.12 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -52.66 -33.83 48.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 t -71.09 141.6 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.76 106.18 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -136.42 68.95 61.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.75 2.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.2 pp -172.79 145.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.08 110.37 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.07 142.83 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.23 166.04 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.1 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -82.82 164.84 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.2 t -59.7 151.43 25.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.59 156.02 21.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.34 -142.13 12.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.85 163.01 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.4 t -112.89 177.07 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.07 164.09 25.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.5 mt -79.54 -32.18 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -57.71 145.49 70.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.572 0.701 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 154.55 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -171.43 131.86 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -124.92 142.68 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.3 mt -111.57 143.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -127.51 146.68 50.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.31 144.56 43.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.42 175.98 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.02 13.62 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -137.21 -41.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -158.05 -177.3 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.01 141.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -123.79 101.86 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 tp -98.61 124.42 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -109.91 140.01 44.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.69 143.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.69 132.39 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 pt -139.54 -176.45 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -123.76 26.8 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.26 53.56 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.2 pp -119.77 137.02 55.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 47.58 33.7 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -82.55 100.96 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -118.31 115.83 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.33 -29.83 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.6 m -53.28 -29.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.41 -26.42 15.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp -51.31 109.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -174.65 68.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -70.11 134.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.51 153.69 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.71 129.98 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -73.91 -174.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.56 -35.17 39.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -139.22 -51.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.1 ptm -75.24 167.82 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.0 136.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.4 mm -107.85 120.09 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -97.86 108.01 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.56 -18.87 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.58 155.13 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.415 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.85 166.85 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.2 Cg_endo -69.82 -4.51 14.21 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -109.36 129.35 55.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -93.84 134.16 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.55 142.96 50.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 tpp180 -123.05 114.69 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.1 mt -104.5 124.28 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -116.34 102.95 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.431 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 11.7 m-30 -92.76 155.87 41.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.75 -8.0 22.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -116.85 -171.54 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -126.2 124.68 41.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.08 177.57 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 tt -137.72 141.48 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -99.75 109.44 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -119.61 -167.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.17 -22.59 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -29.98 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 p -67.2 132.51 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -175.79 165.15 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.65 143.18 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -122.57 135.61 54.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.87 127.03 35.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.88 117.93 35.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -86.36 -36.05 19.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -30.15 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -121.08 -5.34 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.14 26.67 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.52 170.96 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.62 133.8 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -108.63 124.2 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.51 124.98 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -111.88 140.02 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.2 p -151.89 128.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.0 149.42 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.45 147.21 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.3 mt -53.31 -45.15 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.45 144.54 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -81.53 160.89 23.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.86 17.25 8.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.37 133.16 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -107.66 171.08 7.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -137.14 165.54 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.53 -37.28 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 mt -60.18 -17.67 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -93.67 10.19 33.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 mt -143.0 103.53 5.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.319 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.2 p -93.51 -29.37 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -70.42 -35.65 73.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -71.65 -45.84 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.66 -23.52 67.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.94 72.82 10.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 11.51 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -92.26 162.49 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.93 -161.8 26.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.23 99.4 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.41 35.91 20.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.55 -22.49 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.48 -46.51 8.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 108.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.1 148.5 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.58 141.07 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -155.05 148.16 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 p -152.32 109.22 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -111.72 177.14 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -54.57 123.57 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.8 p -73.52 170.14 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -145.3 153.59 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.08 176.92 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 151.3 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.8 167.95 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -54.59 140.18 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.83 106.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -148.51 69.29 10.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 111.82 2.91 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 tp -150.9 105.22 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -106.62 128.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -83.79 175.12 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -103.04 155.13 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.77 126.5 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -55.95 161.95 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.4 t -132.96 131.18 40.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -52.11 -36.01 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 105.82 130.57 6.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.06 166.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.7 m -156.77 153.57 28.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -117.46 176.73 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.5 mt -136.33 124.02 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 111.128 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 170.6 146.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.581 0.705 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -158.2 147.64 19.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -165.56 135.21 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -124.72 144.17 50.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.6 mt -111.41 142.5 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -127.97 146.55 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.87 144.67 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.53 177.51 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.54 17.49 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 -41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -155.89 -178.06 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mm -105.75 141.07 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -121.94 100.34 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.3 tp -97.83 124.56 42.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -110.0 139.27 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -126.7 127.11 69.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -90.16 129.67 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt -150.21 165.67 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -92.47 -170.69 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.13 20.72 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.3 -175.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -50.08 104.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -118.71 93.18 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.5 m -85.87 161.68 18.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.16 23.93 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.5 m -110.39 -17.43 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.02 -7.64 30.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -73.7 117.13 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.728 0.299 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -175.12 80.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -74.77 132.15 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 141.46 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.43 129.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.14 -171.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.15 -34.87 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -140.22 -51.11 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.76 171.15 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.7 mt -116.92 135.88 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.3 mm -107.46 120.14 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -96.67 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -103.88 -18.86 14.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.91 153.12 5.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.418 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.08 166.88 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.74 -4.82 14.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -108.89 128.96 55.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -94.49 132.89 38.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.79 143.3 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -122.4 116.3 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.1 mt -105.78 121.49 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -115.61 103.15 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 11.2 m-85 -95.59 155.02 39.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.72 -7.94 22.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -111.33 -172.91 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.3 120.17 29.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.99 175.77 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.7 tt -137.28 144.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.51 95.13 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.07 -167.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.06 -28.72 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -32.26 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -51.63 132.5 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -179.61 164.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.4 142.82 50.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -121.81 133.14 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.54 126.57 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.15 121.06 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -85.57 -38.04 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -30.12 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -122.47 -5.49 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 59.81 25.79 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.56 159.65 17.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.4 mm -106.71 134.17 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.77 123.29 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -116.74 125.0 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 140.58 46.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.6 131.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.71 147.23 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -101.31 155.93 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.2 mt -71.16 -27.8 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.47 129.83 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -75.18 161.59 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.15 17.16 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -93.07 137.3 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -113.37 -178.6 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -133.19 153.51 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 17.06 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.89 -28.53 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.89 -21.29 57.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -62.91 -27.17 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.8 118.52 40.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.45 21.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.9 p -93.61 -36.18 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -51.21 -35.39 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.59 -42.91 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.93 -49.79 68.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.88 43.53 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.6 mtp85 -95.31 124.41 39.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -104.26 114.24 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.33 156.11 13.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.25 111.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -104.39 -33.06 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.44 128.0 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.55 -143.09 0.34 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.66 25.93 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.12 141.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.58 177.5 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -116.19 165.92 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -149.14 102.92 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.86 137.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -103.62 153.51 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.0 t -120.19 163.28 17.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.02 121.85 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.16 141.2 25.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.89 159.5 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -132.24 153.26 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.22 142.78 27.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -134.78 100.98 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -120.46 69.99 16.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.546 0.688 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.79 4.21 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -173.06 145.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.0 mt -114.39 126.2 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -117.17 148.19 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -161.89 155.56 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.93 140.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -81.47 165.32 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.8 t -142.68 155.11 44.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -164.35 171.98 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -175.09 88.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.53 108.58 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.2 t -119.02 137.22 53.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -71.63 -32.13 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.2 mt -82.73 -35.01 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.75 146.75 9.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.98 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 153.52 31.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -167.36 140.78 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.46 140.09 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mt -111.08 142.1 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 m -129.03 146.03 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.86 144.16 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.03 176.94 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -91.99 17.33 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -143.39 -41.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -155.05 -179.48 8.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.6 mm -103.67 141.52 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -119.0 98.99 6.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -95.36 122.81 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -109.9 143.28 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -126.65 133.66 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -99.97 119.88 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.0 pt -132.07 178.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.21 27.91 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.9 p30 40.66 59.59 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 117.52 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 51.42 31.59 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -66.97 109.32 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.1 t -107.15 179.17 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.78 23.36 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -104.52 -25.79 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.87 -20.97 24.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 mp -51.78 112.2 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -174.91 72.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -79.27 131.84 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.41 154.89 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.8 131.59 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.5 OUTLIER -76.01 -171.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.0 -37.06 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -138.31 -50.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.406 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.3 ptm -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 37.2 mt -115.98 138.45 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.5 mm -107.91 120.5 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -100.13 101.86 13.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.99 -17.56 18.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.14 156.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.29 166.04 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.75 129.1 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -93.05 130.0 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.6 tp -128.7 147.04 50.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.75 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.5 mt -119.81 113.46 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -108.91 105.15 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.449 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 13.9 m-85 -95.53 156.23 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.77 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -113.34 -173.06 2.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -125.41 120.26 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.79 173.83 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -135.33 144.72 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.58 106.32 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.8 -167.07 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.73 -34.58 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -37.91 86.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 p -51.88 132.08 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -178.84 166.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.7 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -122.72 145.85 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -88.03 126.68 35.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.57 118.14 36.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.19 -25.94 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -31.95 64.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.08 3.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 59.89 31.25 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.5 m -110.79 172.35 6.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 22.6 mm -120.68 132.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -110.31 122.24 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.28 125.32 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.32 140.91 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.7 p -144.25 130.04 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.37 146.36 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 161.74 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.6 mt -72.97 -43.05 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.26 119.69 35.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -64.66 161.57 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.86 17.24 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.41 127.24 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -104.95 179.36 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -131.82 148.59 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -123.26 16.97 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -117.95 -14.8 10.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.2 mt -66.66 -12.87 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.75 -23.71 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.71 108.66 62.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.11 22.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 p -95.86 -29.1 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.24 -24.22 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 mt -82.94 -47.01 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.24 -27.89 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.2 107.71 4.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -73.01 -30.13 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.57 122.26 16.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.29 149.09 19.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -101.35 28.88 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.7 mt -81.85 -25.53 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.01 114.94 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.48 66.52 0.14 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.91 105.02 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.74 14.7 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -120.55 151.67 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -143.77 137.35 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 p -137.26 108.35 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.12 170.76 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -129.28 161.52 30.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.8 m -156.63 140.73 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.37 147.36 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.84 174.11 10.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 125.69 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -78.13 112.04 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -120.31 162.19 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -56.28 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -144.45 71.6 15.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.615 0.721 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 133.49 25.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.39 108.21 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.1 mt -118.61 139.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -167.3 170.42 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -98.15 119.72 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.15 133.93 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -131.82 162.94 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.1 t -137.66 135.88 36.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -76.64 -46.64 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 123.33 149.38 7.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.07 143.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.3 t -116.6 176.85 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -130.04 175.87 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.36 -38.35 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 t -56.98 145.75 63.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 154.13 34.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -167.88 130.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 142.09 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.2 mt -111.98 143.74 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -126.63 155.84 41.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -113.33 144.52 42.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.6 177.14 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.66 27.04 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -154.61 -40.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -157.02 -175.95 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.3 mm -103.02 141.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.74 97.9 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 tp -97.03 124.4 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -109.13 137.9 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.36 128.77 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.41 129.37 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 pt -150.83 148.32 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -68.07 -179.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -90.63 13.75 15.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -54.4 176.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -59.5 95.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -59.35 135.97 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.84 43.62 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 m -126.82 -36.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.34 28.41 3.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.38 118.47 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -173.75 83.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.72 131.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.65 155.84 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -117.33 129.33 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.02 -168.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -51.95 -35.57 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -141.72 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ptm -73.58 170.61 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.4 mt -116.26 137.15 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.7 mm -109.48 120.15 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -96.95 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.48 -18.92 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.54 153.19 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.76 166.88 0.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.853 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.76 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -108.57 129.05 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -94.87 132.52 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.32 143.37 50.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.1 ttp180 -125.72 116.67 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.74 134.52 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.45 106.6 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.464 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 5.9 m-30 -95.54 156.97 36.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.672 0.749 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.8 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.85 -171.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -125.6 122.47 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mt -102.96 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 tt -139.29 142.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.23 102.62 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.97 -167.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -28.28 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -30.49 71.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 p -51.09 131.48 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.2 t -178.95 166.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.95 143.28 42.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -122.02 132.8 54.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.8 127.47 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.41 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 p -87.35 -33.74 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -30.62 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -129.32 4.61 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 51.81 30.74 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.63 156.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.26 133.45 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -109.13 121.91 46.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 t -118.12 129.73 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.96 139.1 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 41.4 t -138.66 125.98 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.84 134.31 39.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -92.74 167.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.8 mt -76.93 -33.15 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.98 126.2 39.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -65.17 164.61 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.71 20.64 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -86.38 144.98 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -122.46 173.82 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -136.32 169.19 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -131.37 -42.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 -21.32 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.96 10.96 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.74 104.02 6.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.8 p -97.99 -8.66 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -95.96 -37.17 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.46 -45.36 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.8 mt -55.89 -26.13 45.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 117.04 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.36 -7.2 13.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -51.48 130.06 26.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.32 -153.29 6.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -140.79 104.92 4.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt 56.16 23.87 7.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 122.68 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.86 151.92 18.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.24 103.82 7.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -131.34 138.56 49.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -143.81 147.83 34.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 pp -126.72 152.25 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 t -155.31 112.25 3.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -138.56 160.73 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -152.54 165.63 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.4 p -144.0 158.78 43.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.57 171.47 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.38 140.0 52.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -84.63 116.97 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -122.86 158.77 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 t -113.16 142.19 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -156.26 109.28 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.12 68.35 4.81 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.74 106.08 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.22 123.81 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.07 137.09 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -95.47 108.64 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 p -133.9 140.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -139.85 164.86 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 m -130.7 150.68 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -142.19 114.25 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -143.56 -145.93 4.47 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.95 144.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -79.26 165.59 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.69 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.2 mt -144.17 118.5 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 172.82 140.73 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.88 153.47 26.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -170.6 136.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.72 145.43 49.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.0 mt -112.54 143.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -127.78 145.32 50.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -110.11 144.54 38.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.54 171.73 13.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.45 6.56 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.01 -36.11 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.1 -174.02 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mm -104.48 141.16 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -123.36 100.63 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.98 122.83 42.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -109.99 139.84 44.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.0 mp -121.6 130.46 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -92.49 124.53 36.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.2 pt -149.99 150.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 m -74.55 -173.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.26 22.16 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.6 pt -56.71 -178.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 102.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -114.9 108.28 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -92.78 167.12 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.87 23.12 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.5 m -98.71 -31.64 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.48 -18.36 49.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.94 104.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.51 65.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -66.68 132.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -125.37 151.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -111.46 131.7 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -76.59 -171.26 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.3 -35.3 50.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.45 -50.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.9 ptm -75.52 171.67 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 84.0 mt -119.65 139.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 51.7 mm -108.36 119.94 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -97.57 100.33 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -98.42 -18.71 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.85 153.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER 63.79 166.77 0.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.664 0.745 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.74 -4.86 14.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.28 128.73 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -94.47 129.5 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.5 tp -128.48 145.52 51.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.0 130.95 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -118.25 115.68 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 104.36 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 15.9 m-30 -95.03 155.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.8 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -114.26 -172.15 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -126.83 122.9 36.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 mt -99.34 177.85 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 tt -135.74 140.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -99.72 98.35 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.15 -169.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.4 -26.01 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -35.04 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.13 132.07 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.2 t -179.92 166.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.49 142.78 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.57 133.47 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.74 126.83 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 118.32 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -31.8 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -32.8 50.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -125.35 -1.32 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 26.59 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.54 161.04 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.2 mm -110.28 133.41 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -110.3 123.53 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.39 124.81 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 140.61 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.4 p -147.34 130.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.22 144.84 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -100.29 147.07 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.1 mt -51.98 -30.59 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.87 136.33 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -76.49 161.96 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.97 19.39 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.42 140.09 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -118.51 -175.27 2.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -135.09 156.04 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.79 9.39 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.28 -14.49 9.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 mp -64.26 -15.05 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -77.37 -25.17 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.86 117.43 50.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.693 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.53 10.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 p -65.74 -35.5 80.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.54 -20.4 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mt -87.38 -43.99 11.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.35 -25.61 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.61 47.64 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -55.59 -34.92 65.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -51.77 -53.94 34.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 154.57 113.78 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -113.68 105.63 13.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.9 mt -99.69 26.92 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.04 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 61.33 173.08 1.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -120.83 99.73 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.71 16.39 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.53 128.58 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -136.58 142.03 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.3 p -148.78 115.44 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.74 102.2 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -129.91 144.28 51.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.1 p -99.65 122.04 42.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -148.71 108.01 3.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.51 117.5 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -101.39 176.31 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -153.99 171.46 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.0 t -152.32 142.88 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -136.38 168.99 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 54.21 71.64 1.3 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.2 mt -110.54 27.37 9.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 35.9 mt -94.45 115.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -112.82 117.63 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -135.73 125.19 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.13 134.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.36 135.95 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 67.8 p -136.8 108.04 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.47 113.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.35 -32.68 59.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 84.3 t -91.14 116.4 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.8 m -63.8 135.46 56.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.0 -31.28 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mt -133.73 122.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 170.9 145.63 0.12 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -157.22 141.02 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -156.63 133.7 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -124.97 143.14 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 mt -112.15 142.48 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.09 146.47 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.43 144.37 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.77 177.47 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.49 16.36 12.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -143.01 -40.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -155.62 -177.26 6.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.4 mm -104.92 141.19 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -119.73 95.39 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -97.26 122.97 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -109.81 141.45 42.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mp -125.18 116.39 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.7 123.86 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -148.3 170.66 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -99.98 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 18.85 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.65 -175.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -49.58 104.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -119.16 87.02 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -73.16 158.28 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 20.65 14.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.69 -29.34 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.01 -15.06 53.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.88 117.36 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -173.93 82.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.5 mt -77.33 131.95 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.32 140.2 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -102.23 129.36 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.68 -169.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.38 -36.63 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -137.05 -49.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.2 ptm -76.64 172.67 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 93.0 mt -120.33 136.38 57.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.9 mm -108.16 120.3 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -97.89 102.12 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.68 -18.99 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.04 156.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.23 166.38 0.11 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -5.34 15.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -110.84 128.92 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -94.31 129.34 41.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.2 tp -128.61 146.03 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 132.75 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -121.85 122.43 39.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -116.27 108.06 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.441 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 15.1 m-30 -96.04 156.04 37.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.77 -7.29 20.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -115.56 -172.14 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -123.33 123.0 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -102.33 -175.4 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.96 144.73 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.86 106.23 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.35 -166.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.56 -33.42 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -36.1 82.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 p -56.71 132.18 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 t -173.12 158.94 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.6 143.38 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.36 132.15 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -87.38 126.82 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -107.24 113.66 27.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -83.56 -32.99 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -24.52 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.41 3.35 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 52.01 29.6 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.5 t -111.46 155.11 23.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.7 mm -109.96 132.78 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -110.12 123.66 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 125.28 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -104.99 140.05 38.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.03 126.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.22 134.39 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.58 155.6 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.5 mt -68.7 -46.33 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -114.53 127.33 55.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.38 161.01 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.47 16.78 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.08 126.21 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -104.0 179.24 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -134.58 155.87 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -127.18 14.9 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.73 -19.61 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.3 mt -64.06 -15.62 59.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -90.98 14.11 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.9 mt -138.5 106.51 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.99 17.56 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.32 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.8 p -93.62 -34.79 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -56.97 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.65 -49.11 68.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mp -63.91 -25.46 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.59 37.23 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -137.59 149.54 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.19 -24.75 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.2 115.79 0.95 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.53 24.93 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 mt 51.82 29.05 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.35 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.45 -57.11 6.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.24 45.63 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.14 143.44 45.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.53 176.66 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.66 161.45 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.22 103.26 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.11 147.25 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -141.13 134.63 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 72.2 p -148.1 116.17 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -112.56 -34.85 5.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.58 126.29 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 171.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.46 133.74 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.2 m -83.67 129.29 34.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -57.61 105.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -120.11 68.67 13.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.02 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.66 104.34 14.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.5 mt -119.73 141.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.2 163.28 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -120.11 161.61 20.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 69.2 t -110.82 117.46 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -150.59 149.44 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.2 t -149.97 157.96 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -160.24 159.95 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.46 132.2 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.36 146.63 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.3 p -119.91 147.88 44.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -128.75 155.48 45.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.32 -41.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -51.41 145.78 13.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.57 0.7 . . . . 0.0 111.153 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.02 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.92 159.72 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -173.05 131.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.4 m -124.6 142.47 51.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.4 mt -111.12 142.96 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -127.66 145.94 50.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -106.99 144.25 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.13 176.01 7.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -92.38 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.91 -39.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -157.43 -175.39 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.5 mm -106.54 141.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -121.2 104.08 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 tp -99.61 124.48 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -110.03 137.93 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.25 133.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.23 128.85 38.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt -150.59 151.69 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -173.91 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -95.08 25.84 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -57.22 -177.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.02 96.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -95.62 103.9 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -88.43 170.78 10.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.11 26.32 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 t -112.87 -6.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.15 4.38 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 mt -86.6 114.37 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -174.46 79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.72 131.99 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.44 140.32 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.18 130.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.424 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -75.99 -173.26 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.04 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -140.05 -52.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.424 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.29 170.05 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -116.48 135.74 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -107.85 120.44 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -96.62 107.18 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -106.57 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -55.8 154.54 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.68 166.85 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.426 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.8 -4.87 14.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -110.45 129.07 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -94.56 133.8 37.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.19 143.17 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.71 115.71 22.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.4 mt -105.3 127.5 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -120.78 103.42 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.433 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 11.9 m-85 -94.36 155.76 39.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.71 -7.22 20.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -117.37 -171.95 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -125.46 125.35 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mt -101.24 179.7 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -138.13 142.56 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.14 100.98 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.63 -167.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -71.0 -24.84 62.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 p -63.91 131.95 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -178.25 163.24 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.72 142.75 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -123.06 131.19 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -89.15 129.4 35.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.05 122.99 48.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.2 p -86.83 -40.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -26.73 33.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -115.75 -14.75 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.76 25.8 14.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 173.24 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.7 mm -122.35 132.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -109.81 124.45 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.01 125.56 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.32 140.53 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -155.82 124.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.0 152.73 32.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.46 168.64 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 70.6 mt -74.73 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.6 142.65 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.16 159.09 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.58 18.06 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -94.12 148.62 22.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -129.46 -170.67 2.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -135.13 155.27 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -118.27 -8.46 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -97.24 -25.56 15.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.4 mp -59.04 -19.87 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.56 111.41 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.8 p -95.3 -22.79 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -75.05 -26.52 59.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 mt -78.65 -50.41 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.38 -66.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.43 36.2 23.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -94.23 177.18 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -116.92 -25.9 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.0 -138.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -100.26 106.7 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 pp -75.11 -36.11 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.19 166.02 17.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.42 22.61 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -119.69 146.88 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -144.18 135.89 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.81 152.57 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 t -155.32 115.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -116.66 143.92 45.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -113.58 116.87 30.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 t -55.14 160.04 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -127.39 110.48 12.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.54 159.03 15.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 108.41 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -153.81 137.16 15.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.9 t -52.91 105.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -157.4 108.42 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -117.86 68.12 6.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -170.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.94 128.75 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.0 mt -145.54 134.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -104.09 145.28 30.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -128.59 148.29 50.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.21 141.62 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -150.0 138.48 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 t -155.99 109.25 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -137.34 177.23 8.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -160.27 -131.28 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.66 133.34 69.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.4 t -103.62 147.1 27.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -106.81 145.7 31.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.5 mt -113.75 -31.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -51.11 146.23 11.36 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.612 0.72 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.04 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -153.5 151.74 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -166.88 141.76 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.84 140.17 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mt -110.94 142.08 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.5 145.73 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -114.78 143.85 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.13 172.08 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.15 9.0 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.25 -38.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -163.13 -176.62 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.4 mm -105.85 141.67 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -120.48 100.49 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -96.16 122.9 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -110.16 142.29 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.7 mp -127.75 132.71 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -94.19 113.23 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 pt -145.08 -177.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.5 -177.44 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -95.08 29.24 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -23.15 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.39 41.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -79.81 91.87 5.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.2 m -83.83 -16.73 43.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.67 25.7 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.98 -24.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.57 12.2 58.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -75.3 125.62 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -176.24 88.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -95.36 131.69 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.6 155.83 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -110.45 130.2 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -169.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -52.42 -36.44 54.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -140.0 -49.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptm -76.56 175.91 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.6 mt -124.01 138.63 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.32 120.72 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -98.88 105.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -102.32 -18.1 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.74 156.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.423 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 60.63 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.74 -5.62 16.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -109.22 129.23 55.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -94.29 129.95 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.96 148.64 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -124.15 130.92 53.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -117.24 115.65 25.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.96 104.96 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 18.2 m-85 -96.52 155.36 37.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -110.76 -172.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -127.61 118.56 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mt -97.46 176.99 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -138.31 142.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.56 105.37 17.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.76 -165.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.82 -33.98 75.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -36.39 83.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 133.68 52.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -178.33 170.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.69 142.81 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -122.01 132.79 54.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -86.98 130.74 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.45 123.22 48.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -32.3 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.21 33.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -133.15 5.41 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 51.73 32.18 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.19 162.38 14.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.3 mm -112.96 132.11 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.97 122.74 48.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.28 123.59 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 140.0 48.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 p -142.34 135.91 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.12 144.6 42.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -101.08 146.55 27.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.74 -44.28 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -119.5 126.28 50.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.8 162.44 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.2 18.42 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.18 131.98 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -109.83 177.44 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -134.12 146.08 49.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -118.15 13.93 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.48 -18.82 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.2 mp -64.7 -19.59 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.94 -18.62 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.04 111.06 40.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.2 p -94.29 -21.97 18.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -67.01 -27.33 67.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -79.07 -47.54 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 24.1 mt -65.23 -44.27 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.74 50.41 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.19 155.83 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -52.12 108.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.87 23.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.9 109.8 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 tt -63.89 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.15 -22.36 25.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.94 78.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.52 -8.9 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.94 116.89 18.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -165.37 155.17 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.22 135.17 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 p -151.24 106.0 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -85.98 115.78 23.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -155.66 136.18 13.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.7 t -152.38 138.46 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -135.12 153.45 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.11 127.2 36.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -78.42 106.39 10.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -97.55 115.71 28.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 m -123.38 118.49 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -131.63 103.58 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -147.16 69.02 11.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.555 0.693 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 112.05 2.98 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.394 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.0 mt -145.32 108.13 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.6 mt -106.91 130.37 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -158.61 155.69 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -135.73 144.66 46.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.5 t -106.1 114.93 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -101.93 104.15 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.2 p -146.85 168.23 21.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -156.04 162.35 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.75 135.33 3.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.8 p -153.89 140.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 t -126.0 169.79 12.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -133.01 170.89 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.6 mt -85.33 -29.93 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -55.61 144.47 54.39 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.61 0.719 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -153.17 154.32 34.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -169.49 137.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -124.04 138.83 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -111.15 142.19 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -128.28 147.3 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.5 143.72 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.04 172.92 11.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -89.6 11.91 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.64 -38.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -161.75 -178.14 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.6 mm -106.25 141.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -120.79 100.53 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.6 tp -93.66 123.41 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -110.06 137.54 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.99 131.65 71.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -94.06 104.3 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.42 -175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.52 174.4 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.59 29.01 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.3 pt -59.79 93.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 50.65 37.72 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -64.28 112.71 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.3 m -103.98 -172.82 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.09 21.94 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -120.63 88.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.3 -41.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.43 108.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -158.52 81.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.0 mt -76.75 132.15 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.71 144.65 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.26 131.86 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -75.59 -170.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.31 -36.56 63.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -137.08 -50.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.413 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.2 ptm -76.58 172.19 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.8 mt -119.63 137.32 53.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 120.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.91 103.02 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -99.65 -18.46 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 153.91 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.402 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 64.46 166.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.79 -5.14 15.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.97 128.74 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -92.98 129.91 38.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -128.64 143.16 50.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -119.36 133.08 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 97.3 mt -121.7 116.48 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 17.5 m-85 -96.24 156.08 37.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.37 -172.57 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -125.19 123.88 40.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.19 177.87 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -139.85 144.21 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.48 99.07 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.86 -167.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -68.58 -28.71 67.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -32.71 72.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -60.54 133.28 55.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.18 161.94 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.72 143.2 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -121.93 131.75 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -87.29 126.97 35.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -101.42 120.2 39.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -85.81 -49.43 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -21.97 18.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -116.61 -12.24 10.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 58.31 24.39 11.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.9 p -112.35 164.92 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.13 132.51 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.17 124.56 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 t -115.83 125.53 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 141.17 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 p -154.14 131.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.08 151.94 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -177.35 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.3 mt -96.52 -27.72 14.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.74 112.32 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -58.87 162.67 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 20.83 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -99.8 132.42 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -108.19 176.22 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -130.37 154.85 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -115.3 -39.63 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.05 -25.03 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.8 mp -59.93 -25.02 64.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -67.58 -27.22 66.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.78 117.89 41.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -93.13 -22.69 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.75 -25.22 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.29 -40.77 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 79.2 mt -71.43 -65.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.04 74.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -158.79 144.38 16.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -112.32 -23.98 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.46 105.9 1.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -130.17 109.69 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mt 51.81 28.73 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.8 147.09 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.3 -153.93 12.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.47 -8.17 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.53 22.31 12.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.77 179.71 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -150.84 176.92 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 m -150.04 116.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.07 -175.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -135.2 168.68 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 t -103.83 153.18 21.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -157.88 172.76 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.07 177.18 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -94.75 147.92 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 157.56 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.9 m -116.37 111.62 20.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -111.84 104.69 13.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -120.28 68.5 13.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.512 0.672 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.77 2.5 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.8 mp -136.4 111.37 8.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -103.68 106.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.04 158.7 13.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.63 150.31 44.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 p -123.52 139.91 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.61 170.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.0 m -147.41 128.89 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.46 157.99 21.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -172.7 121.53 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -104.1 107.79 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.3 t -158.95 153.88 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.28 175.43 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.2 mt -99.15 -33.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -50.42 145.73 10.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -49.09 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.14 152.81 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.37 144.18 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.93 139.79 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -110.87 141.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -129.51 145.66 51.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.17 144.34 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.52 176.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -92.4 19.59 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -145.09 -41.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -155.12 -178.6 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.8 mm -105.88 141.99 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.46 100.7 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -96.89 123.17 40.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -109.8 142.9 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 mp -126.92 128.03 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.11 115.77 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.9 pt -135.51 -179.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -105.95 -170.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.59 21.08 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.61 -176.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.62 101.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -112.94 101.42 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.4 m -101.81 167.04 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.74 22.57 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 p -93.11 -30.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.21 -20.73 19.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mp -50.06 111.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -177.47 82.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.8 mt -86.45 132.65 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -125.37 155.42 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.45 128.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.464 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 21.3 mm100 -74.55 -173.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.41 -36.24 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.78 -51.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.464 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.12 170.07 16.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -119.54 138.26 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.7 mm -108.59 119.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -98.43 104.6 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -100.59 -18.95 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.71 158.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 60.96 165.92 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.405 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.77 -5.31 15.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.23 . . . . 0.0 112.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -111.43 129.32 56.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -92.84 130.11 38.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -129.14 143.26 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -122.71 129.28 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.6 mt -117.33 128.45 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -120.5 106.56 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 13.9 m-85 -96.43 156.56 36.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.4 Cg_endo -69.78 -6.51 18.79 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -113.53 -171.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -128.01 122.09 31.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.76 -176.16 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 tt -147.14 144.27 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.09 107.43 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.46 -166.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.96 -36.44 83.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -32.06 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -51.1 132.92 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -178.13 166.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.17 143.06 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -121.97 133.42 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -86.38 126.69 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.95 121.62 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -86.39 -36.85 18.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -30.44 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -124.54 -3.09 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 57.96 27.45 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.0 p -111.67 156.29 22.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 29.4 mm -103.59 134.14 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -108.91 122.32 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.1 t -117.2 124.99 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 140.61 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 p -142.16 132.46 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.26 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 144.35 27.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.5 mt -55.76 -35.06 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -130.61 136.47 48.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -72.3 161.87 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.03 21.51 11.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 135.97 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -121.96 -174.98 3.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -133.96 161.4 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.19 9.03 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -109.62 -30.2 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.8 mt -52.32 -26.66 12.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -57.49 -24.19 54.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 119.61 33.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.6 p -94.24 -28.81 15.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mmtm -56.78 -23.51 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.05 -43.53 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.22 -30.84 71.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.23 114.3 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.55 177.73 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -160.36 158.8 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.57 -58.41 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.23 106.56 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 tp -110.24 -26.03 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.39 153.29 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.45 91.72 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 111.42 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.95 19.41 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.75 134.12 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.5 pp -153.3 150.8 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.04 111.54 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.74 151.51 46.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -154.0 140.08 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -110.0 161.23 15.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -122.6 176.51 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.18 176.95 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -73.05 107.31 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -147.35 154.6 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -56.97 158.51 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -139.91 106.87 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -155.01 69.4 5.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.93 25.92 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.272 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.8 tp -152.9 105.71 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.11 117.12 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.22 165.3 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -132.98 134.27 44.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.24 106.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -55.04 147.57 15.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.4 p -115.14 106.9 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.05 152.53 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -153.7 131.58 3.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.96 117.34 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -120.94 149.91 41.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.66 121.05 42.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.0 mt -86.41 -32.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -50.33 146.84 8.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -160.19 161.8 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -171.68 147.46 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.13 139.0 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 mt -111.15 142.71 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -128.27 146.63 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -111.0 144.21 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 168.4 18.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -86.79 7.61 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 -34.21 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -168.87 -174.49 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.9 mm -106.16 142.69 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -124.55 99.9 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -94.39 123.78 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -110.1 136.39 49.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.15 145.0 30.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.67 131.92 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 pt -140.71 173.2 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.2 22.5 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.64 50.95 17.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.24 114.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 60.31 32.53 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -73.67 102.65 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.4 p -99.51 173.68 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.76 23.74 10.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 p -120.5 -10.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.79 -6.4 21.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.8 117.1 15.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.22 82.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -79.75 131.38 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.15 152.73 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -110.18 129.1 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -170.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -51.81 -33.93 37.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -142.69 -50.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptm -74.64 173.5 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.44 136.37 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -108.26 120.7 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -98.39 106.24 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -104.86 -18.4 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.26 156.92 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.416 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.3 166.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.77 -5.58 16.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.78 128.51 56.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -94.64 131.61 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.6 tp -129.13 146.68 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.11 125.31 46.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.8 mt -113.68 125.42 54.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -118.19 106.24 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 12.9 m-30 -95.61 155.67 38.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -109.95 -172.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -125.22 121.19 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mt -100.02 -178.92 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -141.26 144.86 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.14 103.57 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -167.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -25.01 67.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -35.27 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.88 131.67 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -179.8 167.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.65 142.77 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -121.9 132.1 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -86.68 126.93 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -105.75 121.89 44.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -86.78 -34.03 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -31.68 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -125.44 -0.23 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.81 28.49 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.54 156.84 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.7 mm -105.22 134.1 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.78 121.91 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.69 127.06 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.23 140.23 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.03 133.24 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.9 133.31 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 150.94 22.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.36 -27.35 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -137.04 129.31 29.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.99 162.81 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.11 20.55 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.64 127.78 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -108.62 174.36 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -133.15 169.26 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -129.27 -38.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.6 -20.85 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.33 -16.22 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -89.97 13.59 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.6 mt -141.56 102.58 5.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -6.31 18.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.9 p -98.1 -7.23 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -87.25 -36.0 18.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.06 -34.47 64.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.05 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.55 30.59 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 174.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -110.35 27.97 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.71 77.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -93.65 102.43 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -60.07 -25.37 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.77 149.92 39.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.51 38.48 17.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.17 104.14 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -126.33 130.79 51.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.92 131.98 53.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.67 113.2 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 t -152.5 115.65 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -70.97 144.11 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -55.78 104.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 13.9 t -166.44 158.38 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.56 106.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -156.28 174.97 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.99 147.77 42.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.24 153.85 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 p -53.47 171.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -58.53 101.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.74 71.05 1.78 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 169.87 17.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.3 mt -142.52 126.84 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.11 127.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -158.93 161.03 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -101.35 124.85 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.48 167.23 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -116.7 155.05 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 82.4 p -89.87 176.94 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.38 170.41 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 166.79 149.98 6.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.13 160.37 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -85.14 -56.71 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -162.55 177.81 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.9 mt -82.62 -33.2 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 111.119 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -56.81 144.91 65.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 146.37 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -162.6 133.26 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.62 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mt -112.33 143.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 m -127.88 145.91 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -114.01 144.46 43.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.87 172.43 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -87.92 8.41 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.64 -36.67 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -166.89 -179.12 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -100.29 141.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -123.22 96.96 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -97.64 123.47 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -109.77 138.5 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.937 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -119.65 119.5 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.28 99.76 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.32 162.99 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.1 m -91.3 -176.56 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -91.36 18.01 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -179.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -50.47 103.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -112.55 97.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -98.14 157.62 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.8 19.5 7.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 m -103.12 76.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.22 -22.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.424 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mp -55.39 100.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -165.97 68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.47 131.98 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.97 153.9 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.81 129.63 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.0 mm-40 -73.27 -172.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.29 -37.33 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -139.36 -49.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.426 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.2 ptm -74.9 167.96 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.1 mt -110.42 136.85 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -108.33 119.73 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -100.05 105.59 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -20.49 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.52 154.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.12 167.01 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.695 0.759 . . . . 0.0 110.832 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.71 -5.72 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.84 128.58 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -94.07 133.82 37.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.16 142.83 51.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.7 tpp85 -123.42 113.42 18.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.1 mt -105.38 122.33 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -114.65 105.62 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 12.9 m-30 -96.16 155.54 38.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.69 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -113.96 -172.75 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.45 121.67 36.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -100.09 176.73 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -140.86 144.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -103.93 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.22 -167.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.96 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.49 133.0 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -172.23 162.1 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 143.14 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.67 131.23 53.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -88.47 126.99 35.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -101.59 121.63 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.4 t -87.44 -44.51 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -19.63 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -123.69 -5.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 52.44 28.43 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.9 t -112.84 155.51 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.78 131.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -111.31 124.3 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.53 125.96 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.75 140.6 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.2 t -144.67 128.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.0 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -93.69 141.96 27.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 mt -51.63 -30.75 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.01 125.36 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -67.85 163.0 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.09 19.71 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.19 131.9 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -109.81 -177.38 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -132.78 160.67 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 14.57 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.33 -17.98 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.35 -13.54 58.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -82.07 -9.96 59.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -116.88 107.57 45.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.34 20.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.9 p -100.44 -29.94 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -66.09 -24.74 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -84.85 -44.03 13.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.28 -26.41 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.66 73.25 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 17.96 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.07 -172.14 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.71 -47.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.08 24.87 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.29 74.16 3.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -110.11 136.31 49.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -149.07 -144.97 4.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -108.3 -9.66 15.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.19 139.18 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -110.82 28.16 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.9 mp 50.55 47.54 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.16 105.93 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -95.43 139.86 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.21 114.78 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.8 t -156.97 162.08 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -123.84 172.1 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.6 157.05 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -119.27 108.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -158.48 149.66 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -88.58 111.68 22.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -155.94 107.66 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -120.54 68.32 14.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.254 . . . . 0.0 112.385 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 tt -133.09 102.93 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 52.1 mt -138.8 121.21 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -148.34 112.07 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -155.04 166.63 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.34 102.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -136.36 164.98 26.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -158.5 154.77 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -118.64 164.69 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.18 -152.31 6.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.07 135.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 111.115 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -106.52 173.47 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -122.32 160.74 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.9 mt -133.77 116.14 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 172.83 146.04 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -159.07 148.52 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -163.88 138.55 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -124.12 144.03 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mt -112.25 142.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.29 145.96 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -113.35 144.79 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.05 174.61 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.46 8.29 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.99 -37.45 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -164.8 -175.3 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 mm -105.09 141.32 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -123.66 101.53 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.54 123.63 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.0 ptpt -109.99 141.41 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.9 mp -123.73 128.58 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -90.82 118.93 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pt -150.99 173.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -118.84 -176.68 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -85.15 6.45 25.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -42.41 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.16 100.35 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -155.68 93.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.85 25.07 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.4 m -117.62 5.06 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.65 6.1 3.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.4 114.58 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -165.97 85.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.3 mt -90.59 130.79 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.42 152.89 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.21 130.34 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.16 -172.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.07 -35.14 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -140.96 -51.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptm -75.52 173.88 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.66 138.41 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.74 119.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -98.62 103.93 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -101.42 -18.07 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.87 152.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.439 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 61.75 167.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.439 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.79 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -108.97 128.54 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -95.39 129.81 42.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.6 tp -128.66 147.98 50.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -121.84 130.82 53.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.5 mt -116.84 110.53 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -105.3 104.75 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.417 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 15.3 m-30 -96.12 155.22 38.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -113.97 -174.08 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -124.75 118.18 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.15 -175.32 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.3 tt -144.1 143.18 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 103.35 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -167.46 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.54 -32.0 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.97 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.9 m -64.29 132.0 48.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 t -178.49 163.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.61 142.01 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -123.46 149.51 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -87.92 127.35 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.31 118.24 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -87.75 -32.48 19.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -28.82 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.31 6.7 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.31 28.63 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 p -109.07 168.33 9.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 mm -115.96 132.57 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.46 125.01 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -114.39 125.96 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 140.35 45.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.1 p -149.57 127.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.76 149.22 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -107.41 140.61 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.6 mt -51.69 -48.0 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -110.6 118.69 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -66.32 158.59 28.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.29 16.26 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -92.05 139.12 30.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -113.68 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -134.08 161.12 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.52 10.46 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.06 -26.27 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 80.2 mt -57.32 -23.74 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -65.33 -22.73 66.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.83 113.71 44.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.643 0.735 . . . . 0.0 110.917 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -9.25 25.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.4 p -92.85 -18.06 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -71.31 -22.15 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.57 -48.57 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -71.5 -57.61 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.64 62.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -156.44 179.14 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.15 123.32 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -140.74 10.38 2.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.33 54.44 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -124.63 -1.1 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.74 137.8 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.34 -105.94 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.39 103.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -105.64 172.19 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -95.63 175.37 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -163.69 169.22 18.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -141.72 104.5 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.28 177.42 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -53.22 167.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.8 t -57.2 138.7 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -168.02 174.33 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.24 143.7 17.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.27 155.1 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -54.37 166.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 44.9 p -98.81 112.43 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -138.02 109.3 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -131.42 68.36 81.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -172.35 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 120.98 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.0 mt -110.38 123.6 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 177.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -125.67 132.98 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.58 142.13 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.75 115.88 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 m -81.93 138.88 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -94.71 150.18 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -139.91 97.4 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.93 106.36 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.7 p -119.13 157.17 28.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -131.85 174.54 10.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.9 mt -133.2 119.12 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 171.37 146.24 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.456 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 53.9 Cg_endo -69.78 -81.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.284 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 3.2 mpt_? -138.39 148.76 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -162.04 145.35 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.44 140.11 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.8 mt -108.51 141.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -129.1 147.21 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.89 144.13 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -128.02 178.86 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.33 29.04 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -155.14 -40.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.96 178.61 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mm -106.43 141.95 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.6 106.32 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 tp -97.85 124.99 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 134.19 52.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.03 132.63 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -97.07 134.64 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 pt -151.39 148.27 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 -173.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -94.47 20.53 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -56.42 -179.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -52.34 102.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -121.39 110.65 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -105.72 -177.88 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.58 24.32 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.12 -28.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.41 -18.03 24.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -52.37 109.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -175.17 67.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 78.9 mt -70.99 132.48 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.73 155.73 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 mp -114.81 132.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -76.58 -172.37 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -37.18 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -137.68 -51.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.2 ptm -75.31 171.5 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.1 mt -118.2 138.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -107.95 120.37 59.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -98.85 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -102.71 -18.86 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.13 154.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.408 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.37 166.42 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.81 -4.97 15.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.37 128.75 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -93.25 131.31 38.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.3 tp -129.13 148.49 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -122.65 130.21 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.5 mt -116.66 114.67 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 103.89 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 17.9 m-30 -95.78 155.06 38.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.75 -8.03 22.55 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -112.91 -173.24 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.28 124.32 42.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mt -106.36 173.09 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tt -136.02 144.4 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.43 105.59 17.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 -168.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -68.53 -25.51 64.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -28.86 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -66.4 132.45 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -179.17 161.12 1.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.03 148.54 45.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -87.55 127.25 35.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.22 114.41 28.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -85.0 -30.38 24.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.82 54.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.83 6.02 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 53.66 26.99 6.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.87 168.97 8.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 21.6 mm -117.21 132.85 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -109.84 124.5 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 t -114.46 125.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.27 139.23 46.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.1 p -148.76 135.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.75 147.55 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 172.02 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.9 mt -86.73 -34.62 19.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 117.13 23.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -63.8 161.25 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.95 17.33 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.05 144.09 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.3 -174.06 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -132.77 159.53 39.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.2 22.14 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.08 24.53 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 61.1 mt -101.87 -3.95 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -92.4 -15.21 27.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 0.5 OUTLIER -108.07 102.78 47.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.76 -7.71 21.76 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.9 p -99.25 -19.94 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -67.61 -40.91 84.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.32 -52.13 50.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.6 mp -54.17 -39.76 66.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.5 46.34 26.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.51 149.53 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.89 152.52 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 155.3 -130.18 2.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -78.96 108.68 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.9 mt -87.68 -37.11 17.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.68 111.15 23.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 149.96 142.14 3.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 52.17 34.29 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.73 166.62 10.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -152.36 166.35 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.32 135.75 39.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.17 113.65 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -76.81 108.98 10.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -127.68 121.14 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.8 t -86.39 142.32 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -131.91 162.91 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -98.32 176.87 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.28 174.29 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -107.45 170.51 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -102.4 162.44 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.44 105.88 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.47 69.01 78.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.68 3.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.342 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.17 124.12 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.2 111.91 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -106.04 16.18 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.96 130.11 36.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -109.42 53.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.25 22.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.2 t -86.64 137.16 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -115.43 146.43 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -144.35 77.94 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.12 143.63 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.105 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.1 t -87.13 176.48 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -78.56 -63.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 mt -78.6 -51.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 t -50.93 146.36 10.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.194 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.68 -83.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 1.4 mpp_? -135.34 162.02 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -164.88 147.83 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.9 139.12 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mt -111.7 142.86 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -128.23 146.64 50.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.0 144.38 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.2 175.15 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -89.85 12.6 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.54 -39.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -160.83 177.62 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -102.78 141.32 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.02 101.9 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.32 123.21 38.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -110.49 135.46 51.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.49 133.91 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.26 119.66 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pt -150.95 -175.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -120.55 176.63 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -93.85 20.61 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -53.08 99.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? 49.26 31.66 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.3 106.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.2 m -111.73 162.33 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.66 24.67 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 m -108.78 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.01 -25.55 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mt -57.84 110.31 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.346 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -166.76 89.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -82.36 131.88 32.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.39 145.05 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.98 130.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.62 -169.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.02 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -139.16 -49.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -76.62 170.91 15.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -116.36 132.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 mm -104.0 120.28 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -100.2 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -102.33 -18.4 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.1 153.72 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 62.64 166.75 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.2 Cg_endo -69.76 -5.1 15.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -109.46 129.46 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -94.25 134.41 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -128.74 143.75 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.55 113.01 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.3 mt -103.75 119.38 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.78 97.1 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 14.9 m-30 -85.68 156.77 58.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.74 -6.83 19.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -117.4 -173.65 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -121.59 123.11 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mt -100.31 172.9 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.97 142.37 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 98.7 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.22 -167.28 1.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.55 -25.59 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -32.34 63.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 t -64.26 132.56 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.22 161.03 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.84 141.78 50.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -123.49 136.78 54.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -86.45 127.3 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.75 118.51 36.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 p -86.35 -38.41 17.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -30.14 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -119.74 -8.4 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.94 25.04 14.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.6 p -109.94 169.12 8.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 28.0 mm -115.68 133.28 62.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.79 124.84 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.49 127.62 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -111.34 141.17 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.65 127.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 150.39 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 mt -80.14 -17.01 53.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.69 123.09 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -65.29 163.8 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.58 18.72 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -95.76 140.28 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -117.88 -177.35 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -134.94 163.47 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.11 14.94 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -136.18 26.66 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 56.9 mt -99.88 7.4 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.79 15.13 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -129.42 99.85 20.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.694 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.4 Cg_endo -69.85 -6.83 19.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.282 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -94.39 -36.72 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -65.19 -39.58 93.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.78 -43.08 69.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.16 -43.55 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.56 147.21 8.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -118.84 138.01 53.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -121.07 141.91 50.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.64 147.4 50.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.63 117.63 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.31 -25.92 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.44 151.89 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.92 -122.51 2.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.19 103.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.69 162.52 20.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -98.99 159.48 14.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.7 m -155.47 110.02 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.04 149.43 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -93.4 163.73 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 m -145.02 129.13 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.45 125.21 27.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.09 168.39 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 148.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 136.79 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 m -70.38 109.88 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -77.71 102.71 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -122.89 68.86 35.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.28 6.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.9 tp -133.97 121.39 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.1 mt -109.33 123.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -66.09 135.64 54.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -95.35 151.67 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.81 30.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -112.67 27.39 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 t -128.88 26.02 5.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.23 -45.83 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.63 126.19 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.5 m -103.25 151.72 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.354 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -62.68 171.15 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -93.52 -58.46 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.6 117.34 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.57 145.63 0.22 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.539 0.685 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.43 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.53 144.61 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -161.01 133.22 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 138.17 54.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -111.72 143.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 146.51 50.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.92 143.87 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.21 169.39 16.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -86.33 6.84 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -126.7 -36.44 2.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.53 -176.52 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.6 mm -105.11 141.76 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -124.76 110.58 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 tp -101.44 124.72 47.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -109.5 139.14 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.81 124.17 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -88.5 135.07 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 pt -150.71 173.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 m -127.6 15.96 7.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.1 26.94 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -63.96 -37.8 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.12 38.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -88.1 101.1 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -81.02 -27.46 35.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.72 27.75 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.8 t -119.94 -26.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.36 17.13 34.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.1 122.39 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -174.58 88.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 92.7 mt -89.69 130.98 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.43 154.14 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -107.95 130.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -170.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.33 -35.92 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -141.33 -49.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.1 ptm -75.57 174.11 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.1 mt -117.79 137.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.0 mm -108.86 120.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.6 101.16 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.26 -17.39 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.88 151.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.443 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 62.32 167.65 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.865 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.76 -5.54 16.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -107.13 128.94 54.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -94.7 129.41 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.78 143.43 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -119.86 135.21 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -124.97 115.18 20.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -108.42 109.65 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.459 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 17.2 m-30 -96.47 156.66 36.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -6.2 18.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -118.28 -171.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -124.11 123.92 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.9 mt -101.14 -175.5 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.99 143.81 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.68 107.78 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 -172.87 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.27 -35.9 76.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -37.62 82.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.02 132.49 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -173.44 164.97 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.17 143.2 50.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -122.35 131.85 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -87.83 127.0 35.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -102.5 118.07 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -86.49 -42.51 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -19.56 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -123.98 -5.87 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.92 26.45 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.76 161.86 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.2 mm -117.07 132.16 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -110.31 123.97 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.5 t -115.99 130.75 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -111.29 140.18 46.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 85.6 t -145.13 124.97 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.33 134.27 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -94.1 143.64 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.8 mt -52.47 -42.85 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.6 140.39 51.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -77.59 162.05 27.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.63 17.73 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -89.82 116.13 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -94.32 173.88 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -134.07 159.92 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -118.67 -43.45 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.14 -17.2 57.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.35 -14.44 56.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.14 9.47 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.06 102.85 9.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -7.27 20.62 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -95.17 -23.54 17.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -80.61 -27.46 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.97 -42.38 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.24 -52.0 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.34 109.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.12 5.81 24.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -139.66 128.11 22.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.04 116.04 3.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.35 106.04 10.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 tp -106.17 -27.14 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.25 47.44 1.04 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -88.43 103.77 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.104 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -101.75 155.02 18.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -160.77 152.28 19.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.8 mt -139.81 132.26 28.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 t -156.73 110.73 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -135.24 127.94 30.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -75.8 145.41 40.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 p -110.31 -171.91 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.09 160.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 64.96 51.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -151.72 172.68 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 118' ' ' THR . 19.1 ttmt -98.52 14.74 27.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 117' ' ' LYS . 10.1 t 36.96 43.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -115.79 117.7 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.84 67.07 0.48 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 109.62 2.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.82 103.93 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.7 mt -83.35 112.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -148.55 135.69 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.62 120.66 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.4 m -147.36 135.45 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -103.76 117.67 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -101.58 141.97 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -150.42 176.18 11.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -178.63 98.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 23.1 m -89.85 153.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.8 t -113.99 -26.42 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 63.28 36.08 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.571 0.701 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.77 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -157.16 146.26 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -161.86 131.62 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -124.53 140.36 53.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 17' ' ' LEU . 9.9 mt -111.83 143.12 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.64 146.3 50.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.7 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -111.48 144.25 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.03 177.65 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.77 17.93 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -142.36 -41.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.77 -176.53 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.6 mm -106.05 141.39 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -122.56 101.82 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 8' ' ' ILE . 3.9 tp -99.2 124.26 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.1 ptpt -110.28 137.9 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -125.33 130.94 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.54 131.24 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' CD2' ' A' ' 44' ' ' LEU . 11.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -179.14 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -82.33 132.79 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 139.12 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.42 130.04 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 2.7 mm-40 -75.22 -171.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -34.98 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -139.26 -51.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.0 ptm -75.77 168.56 19.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 57' ' ' LEU . 77.5 mt -116.61 136.22 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -107.71 120.48 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.45 104.48 16.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.06 -18.73 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.68 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.77 154.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.45 166.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.67 0.747 . . . . 0.0 110.849 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.73 -5.8 17.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.286 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.26 129.18 55.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG23 ' A' ' 41' ' ' ILE . 61.6 t80 -93.84 133.02 37.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.73 142.85 50.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -122.04 118.63 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 17' ' ' LEU . 69.5 mt -108.45 123.37 48.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.36 103.36 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HE1' HD22 ' A' ' 96' ' ' LEU . 9.0 m-85 -95.37 155.52 38.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.79 -7.34 20.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -112.55 -172.44 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -125.3 123.72 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 40' ' ' ILE . 3.0 mt -102.7 174.1 6.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.6 tt -137.28 144.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -101.93 105.8 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.83 -168.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.35 -28.43 67.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.93 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 p -61.38 132.32 53.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 t -178.56 163.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.83 142.89 51.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -122.45 136.42 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.7 t80 -86.65 127.02 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.62 118.21 36.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 p -86.02 -37.14 19.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -29.99 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.02 -2.59 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 58.52 26.03 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.9 p -108.18 167.51 9.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD13 ' HD1' ' A' ' 67' ' ' TYR . 25.3 mm -116.73 133.59 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -109.06 124.56 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.27 125.0 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 139.39 47.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -150.79 128.73 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.34 152.0 38.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -103.7 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 56.0 mt -87.52 -23.8 24.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.04 123.68 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.36 159.23 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.68 16.96 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -96.48 150.99 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -126.71 -171.84 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 15' ' ' ILE . 27.3 m-85 -133.67 159.27 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.42 17.57 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.29 -29.82 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HA ' HD21 ' A' ' 96' ' ' LEU . 34.5 mt -54.89 -24.4 23.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.609 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.7 m-20 -63.49 -29.23 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -115.45 136.06 22.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -48.94 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 p -57.84 -36.22 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -57.18 -22.74 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.634 HD22 ' HE1' ' A' ' 53' ' ' PHE . 7.3 mt -91.5 -43.03 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.837 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.568 0.699 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.244 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.22 151.53 26.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.07 138.18 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 140.23 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.573 HG12 HD13 ' A' ' 17' ' ' LEU . 6.6 mt -110.49 141.96 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.99 146.39 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.8 mp0 -111.47 144.29 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.42 -166.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.02 21.97 16.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.95 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.06 -177.33 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.45 142.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -120.86 99.79 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD13 HG12 ' A' ' 8' ' ' ILE . 8.9 tp -92.44 124.11 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -109.17 134.54 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.53 128.67 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.5 116.82 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.2 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -174.46 84.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -80.94 132.16 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.55 138.78 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.527 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.97 129.54 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 10.0 mm100 -75.77 -174.17 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.57 -37.25 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -137.15 -52.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.9 ptm -74.77 168.96 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.814 HD11 HD13 ' A' ' 57' ' ' LEU . 90.9 mt -117.43 137.49 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.2 mm -108.56 119.44 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -95.58 106.59 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -104.8 -18.21 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.8 157.31 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 62.72 166.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.78 -5.76 16.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.96 129.04 56.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.544 ' OH ' HG23 ' A' ' 41' ' ' ILE . 34.1 t80 -95.15 130.54 41.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 3' ' ' THR . 37.0 tp -129.21 148.89 51.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -125.19 128.83 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD1' HD22 ' A' ' 17' ' ' LEU . 95.7 mt -116.34 124.44 50.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -118.48 104.96 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CE1' HD22 ' A' ' 96' ' ' LEU . 10.4 m-30 -95.14 155.89 38.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.8 -7.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -112.71 -171.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -124.99 121.52 34.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -99.93 -177.22 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' HB ' HD21 ' A' ' 81' ' ' LEU . 12.4 tt -148.69 144.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.89 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.7 -168.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.09 -28.3 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -60.87 132.89 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -174.74 166.68 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.44 143.21 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -121.9 133.48 54.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -86.91 127.17 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.07 121.0 44.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.6 p -88.47 -31.94 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -27.81 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -128.26 1.84 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.96 30.18 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 72.2 m -111.38 170.51 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.433 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.1 mm -121.48 133.38 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.99 123.83 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.22 127.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 139.49 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.762 HG21 HD13 ' A' ' 40' ' ' ILE . 16.6 t -139.32 131.52 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.49 134.0 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -92.79 150.84 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD12 ' CG ' ' A' ' 56' ' ' GLU . 59.7 mt -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.02 139.62 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -80.08 160.73 25.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.38 19.29 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -91.37 145.4 24.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -129.3 178.45 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' HD11 ' A' ' 15' ' ' ILE . 36.7 m-85 -130.3 152.83 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.77 -13.94 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -90.26 -26.03 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.586 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.5 mp -58.11 -21.98 48.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' C ' HD13 ' A' ' 92' ' ' LEU . 7.8 t70 -66.76 -24.27 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -108.41 116.51 56.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.59 26.47 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 p -97.75 -33.14 11.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -67.03 -17.85 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.673 HD22 ' CE1' ' A' ' 53' ' ' PHE . 4.9 mt -90.73 -42.98 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' CD2' HD11 ' A' ' 49' ' ' LEU . 77.6 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.721 ' CG2' HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.601 0.715 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -85.75 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.5 153.51 41.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -163.23 139.89 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -124.42 138.76 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 11.5 mt -111.46 142.21 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.05 146.71 50.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.737 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -115.43 143.68 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.77 176.41 7.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.06 19.75 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -143.91 -40.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -157.41 179.05 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.9 mm -106.29 141.96 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -122.47 108.25 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.5 tp -99.02 124.47 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -109.46 137.38 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.04 138.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.51 131.21 46.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 44' ' ' LEU . 5.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.788 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -174.19 84.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.51 131.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.16 137.34 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.03 129.56 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.88 -35.55 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -138.38 -51.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -75.07 174.52 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 58.8 mt -123.42 136.79 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.521 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.7 mm -108.41 120.52 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -96.42 101.34 12.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.43 -18.13 17.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -55.76 158.87 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.52 165.65 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.63 128.94 56.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.521 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -92.94 130.32 38.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.721 HD13 ' CG2' ' A' ' 3' ' ' THR . 48.2 tp -129.15 146.77 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -120.38 132.42 55.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.596 ' CD1' HD22 ' A' ' 17' ' ' LEU . 84.3 mt -120.04 115.48 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -110.88 103.51 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.0 m-85 -95.76 154.73 39.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.68 -10.21 28.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -110.22 -172.76 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.707 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 125.33 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -106.28 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD21 ' A' ' 81' ' ' LEU . 10.6 tt -145.63 144.33 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -100.63 106.77 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -116.12 -168.47 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.94 -26.34 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -31.06 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -65.89 132.86 49.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -178.77 162.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.97 141.82 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -123.42 150.14 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.437 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.34 127.0 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.83 117.19 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.4 p -89.17 -32.36 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -30.6 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -125.62 -1.45 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.0 27.57 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.3 m -111.55 176.65 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.437 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.0 mm -121.64 133.09 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.6 124.51 51.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.52 128.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.39 140.42 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 15' ' ' ILE . 4.0 p -151.12 131.25 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.47 151.49 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 166.69 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 56' ' ' GLU . 57.6 mt -84.33 -39.2 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.31 118.06 27.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.34 162.55 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.37 17.41 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.16 124.89 41.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -100.86 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.82 ' HB3' HD13 ' A' ' 90' ' ' LEU . 21.5 m-85 -132.29 155.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -116.25 -41.89 3.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.53 -22.62 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 87' ' ' PHE . 10.0 mp -62.58 -22.37 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.53 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.7 t0 -71.55 -28.92 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -111.88 117.8 47.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.81 27.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.5 p -95.06 -16.06 22.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HE3' HD23 ' A' ' 92' ' ' LEU . 2.0 mptp? -72.21 -22.51 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.3 mm? -86.67 -47.24 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 HD23 ' A' ' 49' ' ' LEU . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.564 0.697 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.29 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 146.04 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -157.96 135.79 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 138.56 54.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 96' ' ' LEU . 7.1 mt -111.98 143.12 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.05 146.48 50.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.701 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -110.94 143.98 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.27 173.77 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.98 13.98 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -137.38 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -158.82 -177.5 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.6 mm -106.16 141.82 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -121.26 108.82 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 51' ' ' LEU . 11.5 tp -98.9 123.65 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -110.54 134.8 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 HG22 HG23 ' A' ' 21' ' ' ILE . 4.2 mp -123.62 123.1 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.01 113.89 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.467 HG23 HG22 ' A' ' 19' ' ' ILE . 3.2 pt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -172.62 83.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.472 HG13 HD12 ' A' ' 44' ' ' LEU . 59.7 mt -87.97 131.9 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.2 151.87 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.539 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -109.02 130.03 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -74.9 -171.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.02 -36.39 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -139.39 -50.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.414 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ptm -74.91 173.43 10.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -121.21 137.25 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.554 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.2 mm -108.12 120.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.74 104.16 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.9 -18.54 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.715 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.2 155.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.89 166.74 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -4.59 14.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -110.24 129.07 55.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' OH ' HG23 ' A' ' 41' ' ' ILE . 38.3 t80 -94.19 130.44 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.9 tm? -129.26 143.47 50.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.735 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.8 ttp180 -119.0 132.36 56.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 17' ' ' LEU . 68.0 mt -119.7 116.84 26.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -111.64 105.06 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.2 m-30 -95.71 155.11 38.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -8.38 23.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -114.28 -173.18 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HG3' HD12 ' A' ' 81' ' ' LEU . 10.1 pt-20 -124.41 120.56 32.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 40' ' ' ILE . 1.6 mt -96.96 -179.67 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.53 143.42 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -101.66 98.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.74 -173.55 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.25 -33.0 73.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -36.25 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.06 133.3 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -177.73 161.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.7 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -123.16 147.65 46.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.8 t80 -87.77 127.11 35.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.67 117.02 32.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 p -86.89 -44.54 11.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -20.7 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -122.93 -6.56 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 56.47 23.55 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.71 175.92 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.447 HD13 ' HD1' ' A' ' 67' ' ' TYR . 19.7 mm -122.73 131.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -110.78 124.38 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.65 129.37 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.87 140.53 46.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 6.4 p -150.41 128.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.61 150.99 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -102.16 157.95 16.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.1 mt -69.77 -23.79 63.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -134.05 127.16 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -69.98 162.69 27.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.06 18.93 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -89.65 138.91 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.96 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 23.9 m-85 -133.22 154.24 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -127.23 -1.87 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.32 17.44 22.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 8' ' ' ILE . 55.8 mt -92.01 3.98 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.19 14.56 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 1.2 mt -129.88 101.21 18.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' O ' HD13 ' A' ' 97' ' ' LEU . 53.5 Cg_endo -69.7 -5.68 16.76 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 p -95.72 -29.7 14.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 1.6 mptm? -75.56 -38.02 59.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 8' ' ' ILE . 10.3 mt -69.44 -46.42 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 93' ' ' PRO . 7.0 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.626 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.572 0.701 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 154.55 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -171.43 131.86 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -124.92 142.68 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.719 HG21 HD22 ' A' ' 90' ' ' LEU . 11.3 mt -111.57 143.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -127.51 146.68 50.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.31 144.56 43.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.42 175.98 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.02 13.62 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -137.21 -41.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -158.05 -177.3 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.01 141.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -123.79 101.86 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD13 HG12 ' A' ' 8' ' ' ILE . 4.3 tp -98.61 124.42 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -109.91 140.01 44.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.69 143.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.69 132.39 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -174.65 68.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -70.11 134.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.51 153.69 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -113.71 129.98 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -73.91 -174.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.56 -35.17 39.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -139.22 -51.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.1 ptm -75.24 167.82 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.647 HD11 HG11 ' A' ' 78' ' ' VAL . 38.0 mt -112.0 136.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.589 HG23 ' OH ' ' A' ' 48' ' ' TYR . 45.4 mm -107.85 120.09 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -97.86 108.01 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.56 -18.87 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.58 155.13 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.85 166.85 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.2 Cg_endo -69.82 -4.51 14.21 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -109.36 129.35 55.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' OH ' HG23 ' A' ' 41' ' ' ILE . 69.2 t80 -93.84 134.16 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -128.55 142.96 50.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.54 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.7 tpp180 -123.05 114.69 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 17' ' ' LEU . 57.1 mt -104.5 124.28 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -116.34 102.95 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.7 m-30 -92.76 155.87 41.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.75 -8.0 22.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -116.85 -171.54 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 124.68 41.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -101.08 177.57 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 tt -137.72 141.48 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -99.75 109.44 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -119.61 -167.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.17 -22.59 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -29.98 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 p -67.2 132.51 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -175.79 165.15 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.65 143.18 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -122.57 135.61 54.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.501 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.87 127.03 35.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.88 117.93 35.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -86.36 -36.05 19.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -30.15 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -121.08 -5.34 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.14 26.67 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.52 170.96 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.501 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -118.62 133.8 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.63 124.2 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.51 124.98 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -111.88 140.02 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 40' ' ' ILE . 3.2 p -151.89 128.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.0 149.42 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.811 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -105.45 147.21 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.3 mt -53.31 -45.15 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.45 144.54 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -81.53 160.89 23.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.86 17.25 8.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.37 133.16 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -107.66 171.08 7.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 15' ' ' ILE . 43.8 m-85 -137.14 165.54 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.53 -37.28 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.719 HD22 HG21 ' A' ' 8' ' ' ILE . 35.6 mt -60.18 -17.67 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.606 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.1 t0 -93.67 10.19 33.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 91' ' ' ASP . 3.0 mt -143.0 103.53 5.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.2 p -93.51 -29.37 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 92' ' ' LEU . 9.5 mmtp -70.42 -35.65 73.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD13 HD22 ' A' ' 51' ' ' LEU . 4.7 mt -71.65 -45.84 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.614 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.581 0.705 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -158.2 147.64 19.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -165.56 135.21 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -124.72 144.17 50.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.66 HG21 HD22 ' A' ' 90' ' ' LEU . 7.6 mt -111.41 142.5 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -127.97 146.55 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.702 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.87 144.67 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.53 177.51 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.54 17.49 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 -41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -155.89 -178.06 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.735 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.0 mm -105.75 141.07 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -121.94 100.34 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 8' ' ' ILE . 8.3 tp -97.83 124.56 42.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -110.0 139.27 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -126.7 127.11 69.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -90.16 129.67 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.74 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.3 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.728 0.299 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -175.12 80.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -74.77 132.15 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 141.46 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.43 129.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.14 -171.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.15 -34.87 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -140.22 -51.11 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.76 171.15 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 53.7 mt -116.92 135.88 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.3 mm -107.46 120.14 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -96.67 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -103.88 -18.86 14.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.74 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.91 153.12 5.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.08 166.88 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.74 -4.82 14.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -108.89 128.96 55.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.1 t80 -94.49 132.89 38.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.79 143.3 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.523 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.4 ttp180 -122.4 116.3 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.578 ' CD1' HD22 ' A' ' 17' ' ' LEU . 51.1 mt -105.78 121.49 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -115.61 103.15 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.2 m-85 -95.59 155.02 39.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.72 -7.94 22.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -111.33 -172.91 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.0 pt-20 -126.3 120.17 29.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.5 mt -99.99 175.77 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.7 tt -137.28 144.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.51 95.13 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.07 -167.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.06 -28.72 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -67.73 -32.26 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -51.63 132.5 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.7 t -179.61 164.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.4 142.82 50.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -121.81 133.14 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.54 126.57 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.15 121.06 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -85.57 -38.04 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -30.12 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -122.47 -5.49 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 59.81 25.79 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.56 159.65 17.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.4 mm -106.71 134.17 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.77 123.29 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -116.74 125.0 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 140.58 46.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 40' ' ' ILE . 3.5 p -146.6 131.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.71 147.23 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.539 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.1 mmmt -101.31 155.93 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.2 mt -71.16 -27.8 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.47 129.83 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -75.18 161.59 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.15 17.16 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -93.07 137.3 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -113.37 -178.6 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE1' HD11 ' A' ' 15' ' ' ILE . 24.0 m-85 -133.19 153.51 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 17.06 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.89 -28.53 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 8' ' ' ILE . 40.0 mt -58.89 -21.29 57.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.617 ' C ' HD13 ' A' ' 92' ' ' LEU . 16.0 t0 -62.91 -27.17 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.618 HD23 ' HG3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -114.8 118.52 40.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.622 ' O ' HD23 ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.73 -7.45 21.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.9 p -93.61 -36.18 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.618 ' HG3' HD23 ' A' ' 92' ' ' LEU . 4.3 mmtt -51.21 -35.39 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.525 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -73.59 -42.91 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.951 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.98 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 153.52 31.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -167.36 140.78 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.46 140.09 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -111.08 142.1 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 m -129.03 146.03 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.675 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -112.86 144.16 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.03 176.94 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -91.99 17.33 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -143.39 -41.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -155.05 -179.48 8.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.6 mm -103.67 141.52 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -119.0 98.99 6.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -95.36 122.81 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 24.2 ttpt -109.9 143.28 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -126.65 133.66 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -99.97 119.88 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.0 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -174.91 72.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 HD12 ' A' ' 44' ' ' LEU . 81.0 mt -79.27 131.84 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.41 154.89 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 78' ' ' VAL . 2.7 mp -112.8 131.59 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.44 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.5 OUTLIER -76.01 -171.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.0 -37.06 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -138.31 -50.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.44 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.3 ptm -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 37.2 mt -115.98 138.45 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.572 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.5 mm -107.91 120.5 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -100.13 101.86 13.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.99 -17.56 18.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -52.14 156.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.29 166.04 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.75 129.1 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' OH ' HG23 ' A' ' 41' ' ' ILE . 49.4 t80 -93.05 130.0 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.951 HD22 HG21 ' A' ' 3' ' ' THR . 41.6 tp -128.7 147.04 50.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.75 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.512 HD22 HD13 ' A' ' 96' ' ' LEU . 71.5 mt -119.81 113.46 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 14.7 tpt180 -108.91 105.15 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -95.53 156.23 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.77 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -113.34 -173.06 2.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.77 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.6 pt-20 -125.41 120.26 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 40' ' ' ILE . 2.2 mt -100.79 173.83 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -135.33 144.72 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.58 106.32 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.8 -167.07 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.73 -34.58 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -61.98 -37.91 86.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 p -51.88 132.08 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -178.84 166.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.7 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -122.72 145.85 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -88.03 126.68 35.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.57 118.14 36.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.19 -25.94 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -31.95 64.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.08 3.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 59.89 31.25 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.5 m -110.79 172.35 6.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.6 mm -120.68 132.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -110.31 122.24 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.28 125.32 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.32 140.91 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 HD11 ' A' ' 40' ' ' ILE . 4.7 p -144.25 130.04 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -71.37 146.36 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 161.74 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 56' ' ' GLU . 48.6 mt -72.97 -43.05 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.26 119.69 35.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -64.66 161.57 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.86 17.24 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.41 127.24 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -104.95 179.36 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -131.82 148.59 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -123.26 16.97 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.416 ' HB2' ' HD3' ' A' ' 54' ' ' PRO . 61.6 m-20 -117.95 -14.8 10.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 8' ' ' ILE . 44.2 mt -66.66 -12.87 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.75 -23.71 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -106.71 108.66 62.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.11 22.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 p -95.86 -29.1 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.24 -24.22 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.654 HD13 HD11 ' A' ' 8' ' ' ILE . 3.1 mt -82.94 -47.01 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.838 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.5 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 154.13 34.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 97' ' ' LEU . 45.3 p90 -167.88 130.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 142.09 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.757 HG12 HD13 ' A' ' 17' ' ' LEU . 11.2 mt -111.98 143.74 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -126.63 155.84 41.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HG3' HD12 ' A' ' 90' ' ' LEU . 4.0 mp0 -113.33 144.52 42.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.6 177.14 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.66 27.04 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -154.61 -40.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -157.02 -175.95 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.73 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.3 mm -103.02 141.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.74 97.9 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 8' ' ' ILE . 1.6 tp -97.03 124.4 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.6 ptpt -109.13 137.9 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.36 128.77 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.41 129.37 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.3 mt . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -173.75 83.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.72 131.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.65 155.84 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 40' ' ' ILE . 3.0 mp -117.33 129.33 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -72.02 -168.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -51.95 -35.57 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -141.72 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.4 ptm -73.58 170.61 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 78' ' ' VAL . 56.4 mt -116.26 137.15 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.7 mm -109.48 120.15 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -96.95 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.48 -18.92 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.54 153.19 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.76 166.88 0.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.853 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.76 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -108.57 129.05 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.445 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.4 t80 -94.87 132.52 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -129.32 143.37 50.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' H ' HD23 ' A' ' 49' ' ' LEU . 14.1 ttp180 -125.72 116.67 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.573 ' CD1' HD22 ' A' ' 17' ' ' LEU . 26.9 mt -108.74 134.52 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.45 106.6 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.635 ' CD2' HD11 ' A' ' 57' ' ' LEU . 5.9 m-30 -95.54 156.97 36.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.672 0.749 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.8 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.85 -171.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.1 pm0 -125.6 122.47 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 40' ' ' ILE . 2.4 mt -102.96 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 tt -139.29 142.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.23 102.62 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.97 -167.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -28.28 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -65.75 -30.49 71.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 p -51.09 131.48 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -178.95 166.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.95 143.28 42.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -122.02 132.8 54.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.8 127.47 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.41 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 p -87.35 -33.74 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -30.62 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -129.32 4.61 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 51.81 30.74 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.63 156.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.26 133.45 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -109.13 121.91 46.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 t -118.12 129.73 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.96 139.1 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 40' ' ' ILE . 41.4 t -138.66 125.98 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.84 134.31 39.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -92.74 167.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 56' ' ' GLU . 60.8 mt -76.93 -33.15 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.98 126.2 39.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -65.17 164.61 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.71 20.64 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -86.38 144.98 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -122.46 173.82 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD11 ' A' ' 15' ' ' ILE . 39.7 m-85 -136.32 169.19 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -131.37 -42.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 -21.32 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 10' ' ' GLN . 24.0 mt -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 92' ' ' LEU . 59.0 m-20 -89.96 10.96 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.8 mt -140.74 104.02 6.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.5 Cg_endo -69.78 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.8 p -97.99 -8.66 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE2' HD13 ' A' ' 92' ' ' LEU . 13.0 mptt -95.96 -37.17 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.623 HD22 ' CE1' ' A' ' 53' ' ' PHE . 7.8 mt -68.46 -45.36 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 6' ' ' PHE . 95.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.793 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.587 0.708 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.88 153.47 26.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -170.6 136.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.72 145.43 49.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.778 HG12 HD23 ' A' ' 17' ' ' LEU . 2.0 mt -112.54 143.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -127.78 145.32 50.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.677 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -110.11 144.54 38.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.54 171.73 13.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.45 6.56 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.01 -36.11 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.1 -174.02 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.3 mm -104.48 141.16 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -123.36 100.63 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -98.98 122.83 42.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.683 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.3 ptpt -109.99 139.84 44.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.0 mp -121.6 130.46 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -92.49 124.53 36.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.2 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.51 65.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -66.68 132.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -125.37 151.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -111.46 131.7 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -76.59 -171.26 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.3 -35.3 50.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.45 -50.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.9 ptm -75.52 171.67 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 84.0 mt -119.65 139.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -108.36 119.94 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -97.57 100.33 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -98.42 -18.71 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -50.85 153.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.468 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER 63.79 166.77 0.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.664 0.745 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.74 -4.86 14.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.28 128.73 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 41' ' ' ILE . 35.8 t80 -94.47 129.5 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.793 HD22 HG21 ' A' ' 3' ' ' THR . 55.5 tp -128.48 145.52 51.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.0 130.95 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 96' ' ' LEU . 83.3 mt -118.25 115.68 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 104.36 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 96' ' ' LEU . 15.9 m-30 -95.03 155.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.8 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -114.26 -172.15 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.722 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.5 pt-20 -126.83 122.9 36.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.1 mt -99.34 177.85 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 tt -135.74 140.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -99.72 98.35 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -107.15 -169.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.4 -26.01 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -70.51 -35.04 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.13 132.07 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -179.92 166.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.49 142.78 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.57 133.47 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.496 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.74 126.83 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 118.32 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -31.8 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -32.8 50.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -125.35 -1.32 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 26.59 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.54 161.04 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 44' ' ' LEU . 21.2 mm -110.28 133.41 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -110.3 123.53 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.39 124.81 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 140.61 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.696 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -147.34 130.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 60' ' ' ASP . . . -75.22 144.84 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.592 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.4 tmtt? -100.29 147.07 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' A' ' 56' ' ' GLU . 54.1 mt -51.98 -30.59 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -131.87 136.33 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -76.49 161.96 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.97 19.39 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.42 140.09 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -118.51 -175.27 2.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 31.6 m-85 -135.09 156.04 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.79 9.39 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.28 -14.49 9.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 87' ' ' PHE . 8.0 mp -64.26 -15.05 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.529 ' C ' HD13 ' A' ' 92' ' ' LEU . 8.3 m-20 -77.37 -25.17 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -110.86 117.43 50.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.693 . . . . 0.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.53 10.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 p -65.74 -35.5 80.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.54 -20.4 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.71 HD13 HD11 ' A' ' 8' ' ' ILE . 3.2 mt -87.38 -43.99 11.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.669 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.566 0.698 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -157.22 141.02 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -156.63 133.7 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -124.97 143.14 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG12 HD23 ' A' ' 17' ' ' LEU . 1.6 mt -112.15 142.48 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.09 146.47 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -112.43 144.37 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.77 177.47 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.49 16.36 12.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -143.01 -40.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -155.62 -177.26 6.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.4 mm -104.92 141.19 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -119.73 95.39 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -97.26 122.97 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.9 ptpt -109.81 141.45 42.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -125.18 116.39 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.7 123.86 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -173.93 82.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 HD12 ' A' ' 44' ' ' LEU . 66.5 mt -77.33 131.95 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.32 140.2 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.23 129.36 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -72.68 -169.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.38 -36.63 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -137.05 -49.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.417 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -76.64 172.67 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.844 HD11 HD13 ' A' ' 57' ' ' LEU . 93.0 mt -120.33 136.38 57.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.9 mm -108.16 120.3 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -97.89 102.12 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.68 -18.99 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.751 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.04 156.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.23 166.38 0.11 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -5.34 15.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -110.84 128.92 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.1 t80 -94.31 129.34 41.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 3' ' ' THR . 50.2 tp -128.61 146.03 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 132.75 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -121.85 122.43 39.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -116.27 108.06 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.642 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.1 m-30 -96.04 156.04 37.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.77 -7.29 20.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -115.56 -172.14 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.597 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -123.33 123.0 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.844 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -102.33 -175.4 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.96 144.73 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.86 106.23 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.35 -166.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.56 -33.42 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.48 -36.1 82.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 p -56.71 132.18 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 t -173.12 158.94 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.6 143.38 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.36 132.15 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.38 126.82 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -107.24 113.66 27.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -83.56 -32.99 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -24.52 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.41 3.35 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 52.01 29.6 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.5 t -111.46 155.11 23.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -109.96 132.78 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -110.12 123.66 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 125.28 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -104.99 140.05 38.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.763 HG21 HD13 ' A' ' 40' ' ' ILE . 21.4 t -141.03 126.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -77.22 134.39 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.58 155.6 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.597 HD12 ' CG ' ' A' ' 56' ' ' GLU . 58.5 mt -68.7 -46.33 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -114.53 127.33 55.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.38 161.01 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.47 16.78 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.08 126.21 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -104.0 179.24 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.1 m-85 -134.58 155.87 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -127.18 14.9 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.73 -19.61 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 10' ' ' GLN . 29.3 mt -64.06 -15.62 59.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 92' ' ' LEU . 14.3 t0 -90.98 14.11 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.487 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.9 mt -138.5 106.51 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.99 17.56 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.32 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.8 p -93.62 -34.79 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -57.16 -56.97 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.566 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -53.65 -49.11 68.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.637 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.2 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.57 0.7 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.02 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.92 159.72 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -173.05 131.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.4 m -124.6 142.47 51.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.653 HG12 HD13 ' A' ' 17' ' ' LEU . 7.4 mt -111.12 142.96 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -127.66 145.94 50.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 8.8 mp0 -106.99 144.25 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.13 176.01 7.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -92.38 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.91 -39.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -157.43 -175.39 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm -106.54 141.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -121.2 104.08 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD13 HG12 ' A' ' 8' ' ' ILE . 7.2 tp -99.61 124.48 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -110.03 137.93 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.25 133.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.23 128.85 38.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 44' ' ' LEU . 2.9 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -174.46 79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.72 131.99 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.44 140.32 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.18 130.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -75.99 -173.26 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.04 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -140.05 -52.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.45 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.29 170.05 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 57' ' ' LEU . 59.2 mt -116.48 135.74 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.3 mm -107.85 120.44 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -96.62 107.18 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -106.57 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 45' ' ' SER . 1.2 tt -55.8 154.54 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.544 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 63.68 166.85 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.8 -4.87 14.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -110.45 129.07 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 63.2 t80 -94.56 133.8 37.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -129.19 143.17 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -122.71 115.71 22.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 17' ' ' LEU . 53.4 mt -105.3 127.5 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -120.78 103.42 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.9 m-85 -94.36 155.76 39.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.71 -7.22 20.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -117.37 -171.95 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.689 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.2 pt-20 -125.46 125.35 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -101.24 179.7 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -138.13 142.56 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.14 100.98 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.63 -167.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -71.0 -24.84 62.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 p -63.91 131.95 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -178.25 163.24 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.72 142.75 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -123.06 131.19 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.426 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.5 t80 -89.15 129.4 35.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.05 122.99 48.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.2 p -86.83 -40.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -26.73 33.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -115.75 -14.75 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.76 25.8 14.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 173.24 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.426 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.7 mm -122.35 132.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -109.81 124.45 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.01 125.56 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.32 140.53 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -155.82 124.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.0 152.73 32.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.46 168.64 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.689 HD12 ' HG3' ' A' ' 56' ' ' GLU . 70.6 mt -74.73 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.6 142.65 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.16 159.09 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.58 18.06 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -94.12 148.62 22.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -129.46 -170.67 2.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 33.2 m-85 -135.13 155.27 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -118.27 -8.46 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -97.24 -25.56 15.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 87' ' ' PHE . 7.4 mp -59.04 -19.87 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.6 m-20 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -114.56 111.41 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.8 p -95.3 -22.79 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -75.05 -26.52 59.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 53' ' ' PHE . 6.0 mt -78.65 -50.41 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 1.028 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.612 0.72 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.04 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -153.5 151.74 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -166.88 141.76 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.84 140.17 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 17' ' ' LEU . 3.3 mt -110.94 142.08 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.5 145.73 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.6 pt20 -114.78 143.85 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.13 172.08 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.15 9.0 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.25 -38.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -163.13 -176.62 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.4 mm -105.85 141.67 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -120.48 100.49 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 8' ' ' ILE . 2.0 tm? -96.16 122.9 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.569 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.2 ttpt -110.16 142.29 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -127.75 132.71 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -94.19 113.23 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.418 HD11 HG12 ' A' ' 74' ' ' ILE . 4.3 pt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -176.24 88.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.496 HG13 HD12 ' A' ' 44' ' ' LEU . 61.6 mt -95.36 131.69 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.6 155.83 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.45 130.2 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -76.69 -169.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -52.42 -36.44 54.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -140.0 -49.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.412 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 3.6 ptm -76.56 175.91 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.841 HD11 HD13 ' A' ' 57' ' ' LEU . 69.6 mt -124.01 138.63 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.32 120.72 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -98.88 105.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -102.32 -18.1 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.739 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.74 156.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 60.63 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.74 -5.62 16.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -109.22 129.23 55.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 39.9 t80 -94.29 129.95 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.028 HD22 HG21 ' A' ' 3' ' ' THR . 40.5 tp -128.96 148.64 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -124.15 130.92 53.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -117.24 115.65 25.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG3' ' HE3' ' A' ' 39' ' ' MET . 0.1 OUTLIER -110.96 104.96 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.2 m-85 -96.52 155.36 37.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.76 -172.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.5 pt-20 -127.61 118.56 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -97.46 176.99 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -138.31 142.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.56 105.37 17.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.76 -165.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.82 -33.98 75.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.579 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.94 -36.39 83.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 133.68 52.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -178.33 170.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.69 142.81 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -122.01 132.79 54.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' HD1' HD13 ' A' ' 74' ' ' ILE . 7.0 t80 -86.98 130.74 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.45 123.22 48.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -32.3 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.21 33.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -133.15 5.41 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 51.73 32.18 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.19 162.38 14.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.43 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.3 mm -112.96 132.11 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.97 122.74 48.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.28 123.59 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 140.0 48.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -142.34 135.91 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -75.12 144.6 42.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CD ' HD23 ' A' ' 57' ' ' LEU . 27.5 tptp -101.08 146.55 27.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.759 HD12 ' HG3' ' A' ' 56' ' ' GLU . 42.0 mt -56.74 -44.28 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -119.5 126.28 50.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.8 162.44 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.2 18.42 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.18 131.98 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -109.83 177.44 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 28.8 m-85 -134.12 146.08 49.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -118.15 13.93 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.48 -18.82 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 87' ' ' PHE . 10.2 mp -64.7 -19.59 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' C ' HD13 ' A' ' 92' ' ' LEU . 4.8 t70 -69.94 -18.62 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -117.04 111.06 40.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 0.0 110.94 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.2 p -94.29 -21.97 18.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 92' ' ' LEU . 82.7 mttt -67.01 -27.33 67.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.2 mm? -79.07 -47.54 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 49' ' ' LEU . 24.1 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.61 0.719 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -153.17 154.32 34.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -169.49 137.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -124.04 138.83 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 51' ' ' LEU . 8.7 mt -111.15 142.19 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -128.28 147.3 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.704 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -114.5 143.72 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.04 172.92 11.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -89.6 11.91 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.64 -38.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -161.75 -178.14 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.6 mm -106.25 141.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -120.79 100.53 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 51' ' ' LEU . 7.6 tp -93.66 123.41 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -110.06 137.54 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 21' ' ' ILE . 2.9 mp -125.99 131.65 71.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -94.06 104.3 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 19' ' ' ILE . 1.3 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -158.52 81.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.553 HG13 HD12 ' A' ' 44' ' ' LEU . 64.0 mt -76.75 132.15 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.71 144.65 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -105.26 131.86 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -75.59 -170.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.31 -36.56 63.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -137.08 -50.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.449 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.2 ptm -76.58 172.19 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 66.8 mt -119.63 137.32 53.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.0 mm -108.3 120.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.91 103.02 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -99.65 -18.46 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.87 153.91 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 64.46 166.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.79 -5.14 15.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.97 128.74 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' OH ' HG23 ' A' ' 41' ' ' ILE . 41.3 t80 -92.98 129.91 38.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.2 tm? -128.64 143.16 50.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.716 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.6 ttt180 -119.36 133.08 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 17' ' ' LEU . 97.3 mt -121.7 116.48 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.5 m-85 -96.24 156.08 37.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.37 -172.57 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.693 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.4 pm0 -125.19 123.88 40.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -103.19 177.87 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.1 tt -139.85 144.21 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.48 99.07 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.86 -167.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -68.58 -28.71 67.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -32.71 72.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -60.54 133.28 55.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.18 161.94 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.72 143.2 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -121.93 131.75 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.5 t80 -87.29 126.97 35.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -101.42 120.2 39.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -85.81 -49.43 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -21.97 18.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -116.61 -12.24 10.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 58.31 24.39 11.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.9 p -112.35 164.92 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.434 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -115.13 132.51 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.17 124.56 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 t -115.83 125.53 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 141.17 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 40' ' ' ILE . 4.0 p -154.14 131.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.08 151.94 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -177.35 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD12 ' CG ' ' A' ' 56' ' ' GLU . 68.3 mt -96.52 -27.72 14.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.74 112.32 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -58.87 162.67 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 20.83 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -99.8 132.42 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -108.19 176.22 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.793 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.5 m-85 -130.37 154.85 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -115.3 -39.63 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.05 -25.03 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 87' ' ' PHE . 9.8 mp -59.93 -25.02 64.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.572 ' C ' HD13 ' A' ' 92' ' ' LEU . 19.1 t0 -67.58 -27.22 66.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.762 HD23 ' HE2' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -114.78 117.89 41.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -93.13 -22.69 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.762 ' HE2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -65.75 -25.22 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.511 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -86.29 -40.77 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 49' ' ' LEU . 79.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -49.09 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.14 152.81 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.37 144.18 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.93 139.79 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 HD13 ' A' ' 90' ' ' LEU . 4.4 mt -110.87 141.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -129.51 145.66 51.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.693 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.17 144.34 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.52 176.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -92.4 19.59 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -145.09 -41.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -155.12 -178.6 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.693 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.8 mm -105.88 141.99 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.46 100.7 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.676 HD23 HG12 ' A' ' 8' ' ' ILE . 1.7 tm? -96.89 123.17 40.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' N ' HD22 ' A' ' 17' ' ' LEU . 30.7 ttpt -109.8 142.9 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.8 mp -126.92 128.03 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.11 115.77 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -177.47 82.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.434 HG13 HD12 ' A' ' 44' ' ' LEU . 83.8 mt -86.45 132.65 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -125.37 155.42 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.62 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -114.45 128.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 21.3 mm100 -74.55 -173.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.41 -36.24 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.78 -51.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.12 170.07 16.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 56.7 mt -119.54 138.26 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.532 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.59 119.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -98.43 104.6 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -100.59 -18.95 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.434 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.71 158.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 60.96 165.92 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.77 -5.31 15.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.23 . . . . 0.0 112.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -111.43 129.32 56.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.8 t80 -92.84 130.11 38.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.7 tm? -129.14 143.26 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.754 ' N ' HD13 ' A' ' 49' ' ' LEU . 22.9 ttp180 -122.71 129.28 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.6 mt -117.33 128.45 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 6.9 tpt180 -120.5 106.56 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.604 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -96.43 156.56 36.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.4 Cg_endo -69.78 -6.51 18.79 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.53 -171.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.791 ' HG3' HD12 ' A' ' 81' ' ' LEU . 7.9 pt-20 -128.01 122.09 31.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.76 -176.16 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 tt -147.14 144.27 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -104.09 107.43 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.46 -166.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.96 -36.44 83.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -32.06 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -51.1 132.92 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -178.13 166.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.17 143.06 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -121.97 133.42 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.8 t80 -86.38 126.69 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.95 121.62 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -86.39 -36.85 18.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -30.44 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -124.54 -3.09 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 57.96 27.45 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.0 p -111.67 156.29 22.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 29.4 mm -103.59 134.14 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -108.91 122.32 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.1 t -117.2 124.99 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 140.61 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 40' ' ' ILE . 4.2 p -142.16 132.46 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.26 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.28 144.35 27.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 56' ' ' GLU . 31.5 mt -55.76 -35.06 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -130.61 136.47 48.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -72.3 161.87 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.03 21.51 11.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 135.97 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -121.96 -174.98 3.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.669 ' CE1' HD11 ' A' ' 15' ' ' ILE . 25.2 m-85 -133.96 161.4 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.19 9.03 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.403 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 6.3 p-10 -109.62 -30.2 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 8' ' ' ILE . 16.8 mt -52.32 -26.66 12.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.657 ' C ' HD13 ' A' ' 92' ' ' LEU . 10.5 m-20 -57.49 -24.19 54.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -118.06 119.61 33.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.591 ' O ' HD23 ' A' ' 97' ' ' LEU . 54.2 Cg_endo -69.74 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.6 p -94.24 -28.81 15.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.567 ' HG3' HD23 ' A' ' 92' ' ' LEU . 13.6 mmtm -56.78 -23.51 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.493 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -90.05 -43.53 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.807 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.59 0.71 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -160.19 161.8 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -171.68 147.46 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.13 139.0 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 HD22 ' A' ' 90' ' ' LEU . 11.8 mt -111.15 142.71 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -128.27 146.63 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.3 mp0 -111.0 144.21 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 168.4 18.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -86.79 7.61 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 -34.21 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -168.87 -174.49 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.9 mm -106.16 142.69 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -124.55 99.9 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 8' ' ' ILE . 6.8 tp -94.39 123.78 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -110.1 136.39 49.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.15 145.0 30.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.67 131.92 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 44' ' ' LEU . 3.9 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.841 0.353 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.22 82.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -79.75 131.38 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.15 152.73 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.504 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.18 129.1 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -170.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -51.81 -33.93 37.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -142.69 -50.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE3' ' HG2' ' A' ' 52' ' ' ARG . 3.0 ptm -74.64 173.5 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -119.44 136.37 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.486 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -108.26 120.7 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -98.39 106.24 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -104.86 -18.4 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -54.26 156.92 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.549 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.3 166.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.77 -5.58 16.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.78 128.51 56.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.486 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.0 t80 -94.64 131.61 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.807 HD22 HG21 ' A' ' 3' ' ' THR . 23.6 tp -129.13 146.68 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.11 125.31 46.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 17' ' ' LEU . 83.8 mt -113.68 125.42 54.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' HE3' ' A' ' 39' ' ' MET . 3.2 tmt_? -118.19 106.24 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.638 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.9 m-30 -95.61 155.67 38.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -109.95 -172.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.5 pt-20 -125.22 121.19 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -100.02 -178.92 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -141.26 144.86 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.14 103.57 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -167.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -25.01 67.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -71.87 -35.27 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.88 131.67 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 62' ' ' ARG . 9.9 t -179.8 167.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.65 142.77 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -121.9 132.1 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.482 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.68 126.93 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -105.75 121.89 44.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -86.78 -34.03 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -31.68 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -125.44 -0.23 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.81 28.49 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.54 156.84 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.482 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.7 mm -105.22 134.1 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.78 121.91 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.69 127.06 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.23 140.23 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 40' ' ' ILE . 21.9 t -140.03 133.24 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -79.9 133.31 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.524 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.54 150.94 22.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 56' ' ' GLU . 37.0 mt -67.36 -27.35 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -137.04 129.31 29.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.99 162.81 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.11 20.55 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.64 127.78 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -108.62 174.36 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 20.8 m-85 -133.15 169.26 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -129.27 -38.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.6 -20.85 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.698 HD22 HG21 ' A' ' 8' ' ' ILE . 18.2 mt -62.33 -16.22 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' HD23 ' A' ' 92' ' ' LEU . 6.5 m-20 -89.97 13.59 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.6 mt -141.56 102.58 5.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -6.31 18.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.9 p -98.1 -7.23 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -87.25 -36.0 18.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.5 mm? -74.06 -34.47 64.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.606 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 146.37 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -162.6 133.26 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.62 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.756 HG12 HD23 ' A' ' 17' ' ' LEU . 2.4 mt -112.33 143.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 m -127.88 145.91 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.673 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.01 144.46 43.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.87 172.43 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -87.92 8.41 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.64 -36.67 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -166.89 -179.12 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.9 mm -100.29 141.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -123.22 96.96 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.756 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -97.64 123.47 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.1 ptpt -109.77 138.5 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.937 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.3 mp -119.65 119.5 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.28 99.76 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.777 0.323 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -165.97 68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.47 131.98 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.97 153.9 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.81 129.63 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.0 mm-40 -73.27 -172.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.29 -37.33 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -139.36 -49.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.2 ptm -74.9 167.96 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 57' ' ' LEU . 60.1 mt -110.42 136.85 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.59 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.9 mm -108.33 119.73 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -100.05 105.59 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -20.49 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -51.52 154.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 61.12 167.01 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.695 0.759 . . . . 0.0 110.832 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.71 -5.72 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.84 128.58 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' HG23 ' A' ' 41' ' ' ILE . 60.2 t80 -94.07 133.82 37.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.7 OUTLIER -126.16 142.83 51.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' H ' HD23 ' A' ' 49' ' ' LEU . 3.7 tpp85 -123.42 113.42 18.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 8' ' ' ILE . 75.1 mt -105.38 122.33 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -114.65 105.62 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' A' ' 96' ' ' LEU . 12.9 m-30 -96.16 155.54 38.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.69 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -113.96 -172.75 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 81' ' ' LEU . 9.0 pt-20 -123.45 121.67 36.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 40' ' ' ILE . 3.8 mt -100.09 176.73 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -140.86 144.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -103.93 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.22 -167.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.96 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.49 133.0 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -172.23 162.1 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 143.14 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.67 131.23 53.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.6 t80 -88.47 126.99 35.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -101.59 121.63 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.4 t -87.44 -44.51 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -19.63 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -123.69 -5.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 52.44 28.43 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.9 t -112.84 155.51 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.424 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.9 mm -109.78 131.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -111.31 124.3 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.53 125.96 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.75 140.6 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 47.2 t -144.67 128.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.0 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -93.69 141.96 27.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' HG3' ' A' ' 56' ' ' GLU . 52.9 mt -51.63 -30.75 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.01 125.36 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -67.85 163.0 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 61.09 19.71 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.19 131.9 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -109.81 -177.38 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -132.78 160.67 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 14.57 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.33 -17.98 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.35 -13.54 58.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' O ' HD13 ' A' ' 92' ' ' LEU . 31.8 m-20 -82.07 -9.96 59.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' HD2' ' A' ' 95' ' ' LYS . 1.4 mm? -116.88 107.57 45.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.34 20.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.9 p -100.44 -29.94 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.639 ' HD2' HD23 ' A' ' 92' ' ' LEU . 84.7 mttt -66.09 -24.74 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 8' ' ' ILE . 1.5 mt -84.85 -44.03 13.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.787 HG21 HD22 ' A' ' 49' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -159.07 148.52 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -163.88 138.55 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -124.12 144.03 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.751 HG12 HD23 ' A' ' 17' ' ' LEU . 2.3 mt -112.25 142.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.29 145.96 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.709 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -113.35 144.79 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.05 174.61 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.46 8.29 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.99 -37.45 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -164.8 -175.3 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 10' ' ' GLN . 6.3 mm -105.09 141.32 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -123.66 101.53 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD23 HG12 ' A' ' 8' ' ' ILE . 1.2 tm? -99.54 123.63 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.666 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.0 ptpt -109.99 141.41 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -123.73 128.58 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -90.82 118.93 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.773 0.321 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -165.97 85.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' ILE . 86.3 mt -90.59 130.79 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.42 152.89 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.589 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -106.21 130.34 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.16 -172.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.07 -35.14 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -140.96 -51.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptm -75.52 173.88 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 57' ' ' LEU . 36.2 mt -119.66 138.41 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.575 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.74 119.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -98.62 103.93 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -101.42 -18.07 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.768 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.87 152.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 61.75 167.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.79 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -108.97 128.54 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.3 t80 -95.39 129.81 42.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.787 HD22 HG21 ' A' ' 3' ' ' THR . 44.6 tp -128.66 147.98 50.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -121.84 130.82 53.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 96' ' ' LEU . 56.5 mt -116.84 110.53 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -105.3 104.75 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.3 m-30 -96.12 155.22 38.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -113.97 -174.08 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.745 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -124.75 118.18 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 1.8 mt -95.15 -175.32 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.3 tt -144.1 143.18 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 103.35 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -167.46 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.54 -32.0 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.97 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.9 m -64.29 132.0 48.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 t -178.49 163.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.61 142.01 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -123.46 149.51 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.2 t80 -87.92 127.35 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.31 118.24 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -87.75 -32.48 19.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -28.82 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.31 6.7 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.31 28.63 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 p -109.07 168.33 9.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.449 HD13 ' HD1' ' A' ' 67' ' ' TYR . 21.4 mm -115.96 132.57 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.46 125.01 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -114.39 125.96 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 140.35 45.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 3.1 p -149.57 127.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.76 149.22 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 57' ' ' LEU . 5.6 tptm -107.41 140.61 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' A' ' 56' ' ' GLU . 51.6 mt -51.69 -48.0 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -110.6 118.69 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -66.32 158.59 28.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.29 16.26 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -92.05 139.12 30.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -113.68 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CE1' HD11 ' A' ' 15' ' ' ILE . 26.6 m-85 -134.08 161.12 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.52 10.46 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.06 -26.27 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 8' ' ' ILE . 80.2 mt -57.32 -23.74 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.54 ' C ' HD13 ' A' ' 92' ' ' LEU . 77.6 m-20 -65.33 -22.73 66.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -114.83 113.71 44.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.643 0.735 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -9.25 25.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.4 p -92.85 -18.06 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -71.31 -22.15 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.489 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.2 mm? -85.57 -48.57 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' HD11 ' A' ' 49' ' ' LEU . 11.4 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.809 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 53.9 Cg_endo -69.78 -81.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.284 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 3.2 mpt_? -138.39 148.76 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -162.04 145.35 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.44 140.11 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 90' ' ' LEU . 9.8 mt -108.51 141.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -129.1 147.21 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.721 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -116.89 144.13 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -128.02 178.86 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.33 29.04 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -155.14 -40.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.96 178.61 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.7 mm -106.43 141.95 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.6 106.32 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.9 tp -97.85 124.99 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 134.19 52.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.03 132.63 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -97.07 134.64 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -175.17 67.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG13 HD12 ' A' ' 44' ' ' LEU . 78.9 mt -70.99 132.48 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.73 155.73 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.584 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -114.81 132.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 1.1 mm-40 -76.58 -172.37 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -37.18 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -137.68 -51.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -75.31 171.5 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 57' ' ' LEU . 91.1 mt -118.2 138.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.95 120.37 59.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -98.85 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -102.71 -18.86 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD12 HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -51.13 154.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.37 166.42 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.81 -4.97 15.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.37 128.75 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -93.25 131.31 38.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.809 HD22 HG21 ' A' ' 3' ' ' THR . 53.3 tp -129.13 148.49 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -122.65 130.21 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.599 ' CD1' HD22 ' A' ' 17' ' ' LEU . 71.5 mt -116.66 114.67 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 103.89 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.9 m-30 -95.78 155.06 38.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.75 -8.03 22.55 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -112.91 -173.24 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -124.28 124.32 42.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 40' ' ' ILE . 4.0 mt -106.36 173.09 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.1 tt -136.02 144.4 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.43 105.59 17.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 -168.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -68.53 -25.51 64.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -28.86 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -66.4 132.45 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -179.17 161.12 1.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.03 148.54 45.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -87.55 127.25 35.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.22 114.41 28.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -85.0 -30.38 24.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.82 54.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.83 6.02 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 53.66 26.99 6.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.87 168.97 8.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.438 HD13 ' HD1' ' A' ' 67' ' ' TYR . 21.6 mm -117.21 132.85 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -109.84 124.5 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 t -114.46 125.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.27 139.23 46.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 40' ' ' ILE . 4.1 p -148.76 135.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.75 147.55 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 172.02 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.9 mt -86.73 -34.62 19.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 117.13 23.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -63.8 161.25 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.95 17.33 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.05 144.09 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.3 -174.06 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.682 ' CE1' HD11 ' A' ' 15' ' ' ILE . 21.5 m-85 -132.77 159.53 39.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.2 22.14 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.08 24.53 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 8' ' ' ILE . 61.1 mt -101.87 -3.95 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' C ' HD13 ' A' ' 92' ' ' LEU . 6.0 m-20 -92.4 -15.21 27.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -108.07 102.78 47.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.76 -7.71 21.76 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.9 p -99.25 -19.94 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -67.61 -40.91 84.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.32 -52.13 50.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 49' ' ' LEU . 8.6 mp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.575 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.537 0.684 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.68 -83.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 1.4 mpp_? -135.34 162.02 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -164.88 147.83 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.9 139.12 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 90' ' ' LEU . 12.8 mt -111.7 142.86 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -128.23 146.64 50.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.79 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -115.0 144.38 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.2 175.15 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -89.85 12.6 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.54 -39.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -160.83 177.62 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.1 mm -102.78 141.32 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.02 101.9 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -95.32 123.21 38.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -110.49 135.46 51.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.49 133.91 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.26 119.66 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.828 0.346 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -166.76 89.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -82.36 131.88 32.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.39 145.05 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.442 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -103.98 130.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -74.62 -169.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.02 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -139.16 -49.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.407 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.3 ptm -76.62 170.91 15.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -116.36 132.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG23 ' OH ' ' A' ' 48' ' ' TYR . 44.8 mm -104.0 120.28 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -100.2 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -102.33 -18.4 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.561 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.1 153.72 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 62.64 166.75 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.2 Cg_endo -69.76 -5.1 15.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -109.46 129.46 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' OH ' HG23 ' A' ' 41' ' ' ILE . 67.2 t80 -94.25 134.41 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -128.74 143.75 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.55 113.01 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 HD13 ' A' ' 96' ' ' LEU . 70.3 mt -103.75 119.38 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.78 97.1 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.655 ' HD2' HD11 ' A' ' 57' ' ' LEU . 14.9 m-30 -85.68 156.77 58.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.74 -6.83 19.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -117.4 -173.65 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -121.59 123.11 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 40' ' ' ILE . 1.3 mt -100.31 172.9 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.97 142.37 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 98.7 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.22 -167.28 1.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.55 -25.59 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -32.34 63.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 t -64.26 132.56 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.22 161.03 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.84 141.78 50.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -123.49 136.78 54.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.4 t80 -86.45 127.3 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.75 118.51 36.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 p -86.35 -38.41 17.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -30.14 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -119.74 -8.4 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.94 25.04 14.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.6 p -109.94 169.12 8.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.0 mm -115.68 133.28 62.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -109.79 124.84 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.49 127.62 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -111.34 141.17 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 40' ' ' ILE . 3.6 p -155.65 127.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 150.39 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HG3' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.27 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 56' ' ' GLU . 50.7 mt -80.14 -17.01 53.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.69 123.09 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -65.29 163.8 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.58 18.72 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -95.76 140.28 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -117.88 -177.35 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.9 m-85 -134.94 163.47 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.11 14.94 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -136.18 26.66 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 8' ' ' ILE . 56.9 mt -99.88 7.4 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.79 15.13 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -129.42 99.85 20.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.694 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.4 Cg_endo -69.85 -6.83 19.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.282 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -94.39 -36.72 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 5.7 mptp? -65.19 -39.58 93.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 HD22 ' A' ' 51' ' ' LEU . 5.6 mt -70.78 -43.08 69.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.539 0.685 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.43 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.53 144.61 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -161.01 133.22 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 138.17 54.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 17' ' ' LEU . 11.0 mt -111.72 143.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 146.51 50.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.69 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.92 143.87 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.21 169.39 16.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -86.33 6.84 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -126.7 -36.44 2.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.53 -176.52 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 HD21 ' A' ' 90' ' ' LEU . 5.6 mm -105.11 141.76 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -124.76 110.58 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 HG12 ' A' ' 8' ' ' ILE . 3.4 tp -101.44 124.72 47.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' ' 17' ' ' LEU . 21.1 ttpt -109.5 139.14 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.81 124.17 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -88.5 135.07 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.743 HD22 ' CD2' ' A' ' 44' ' ' LEU . 8.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -174.58 88.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 44' ' ' LEU . 92.7 mt -89.69 130.98 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.43 154.14 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 78' ' ' VAL . 3.1 mp -107.95 130.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.6 OUTLIER -75.02 -170.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.33 -35.92 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -141.33 -49.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.432 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 6.1 ptm -75.57 174.11 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 57' ' ' LEU . 67.1 mt -117.79 137.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.485 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.0 mm -108.86 120.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.6 101.16 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.26 -17.39 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.743 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.88 151.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 62.32 167.65 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.865 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.76 -5.54 16.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -107.13 128.94 54.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.485 ' OH ' HG23 ' A' ' 41' ' ' ILE . 47.7 t80 -94.7 129.41 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.0 tm? -128.78 143.43 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.714 ' N ' HD13 ' A' ' 49' ' ' LEU . 4.3 ttp180 -119.86 135.21 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' HD22 ' A' ' 17' ' ' LEU . 94.3 mt -124.97 115.18 20.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -108.42 109.65 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.2 m-30 -96.47 156.66 36.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -6.2 18.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -118.28 -171.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 81' ' ' LEU . 1.6 pm0 -124.11 123.92 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.712 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -101.14 -175.5 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.99 143.81 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.68 107.78 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 -172.87 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.27 -35.9 76.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -60.66 -37.62 82.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.02 132.49 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -173.44 164.97 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.17 143.2 50.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -122.35 131.85 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.2 t80 -87.83 127.0 35.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -102.5 118.07 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -86.49 -42.51 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -19.56 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -123.98 -5.87 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.92 26.45 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.76 161.86 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 15.2 mm -117.07 132.16 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -110.31 123.97 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.5 t -115.99 130.75 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -111.29 140.18 46.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.592 HG21 HD13 ' A' ' 40' ' ' ILE . 85.6 t -145.13 124.97 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -78.33 134.27 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.712 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.5 tmtt? -94.1 143.64 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 56' ' ' GLU . 54.8 mt -52.47 -42.85 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.6 140.39 51.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -77.59 162.05 27.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.63 17.73 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -89.82 116.13 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -94.32 173.88 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.789 ' HB3' HD13 ' A' ' 90' ' ' LEU . 29.0 m-85 -134.07 159.92 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -118.67 -43.45 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.14 -17.2 57.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 87' ' ' PHE . 8.7 mp -64.35 -14.44 56.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' HD23 ' A' ' 92' ' ' LEU . 20.8 m-20 -97.14 9.47 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 91' ' ' ASP . 5.2 mt -137.06 102.85 9.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -7.27 20.62 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -95.17 -23.54 17.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -80.61 -27.46 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' PHE . 5.5 mt -80.97 -42.38 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 49' ' ' LEU . 67.9 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' C ' HG22 ' A' ' 3' ' ' THR . 23.1 mt -125.04 124.11 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER 170.08 146.38 0.11 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.571 0.701 . . . . 0.0 111.128 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.77 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -157.16 146.26 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -161.86 131.62 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -124.53 140.36 53.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 17' ' ' LEU . 9.9 mt -111.83 143.12 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.64 146.3 50.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.7 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -111.48 144.25 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.03 177.65 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.77 17.93 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -142.36 -41.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.77 -176.53 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.6 mm -106.05 141.39 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -122.56 101.82 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 8' ' ' ILE . 3.9 tp -99.2 124.26 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.1 ptpt -110.28 137.9 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -125.33 130.94 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.54 131.24 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt -150.59 154.21 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -175.96 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -94.23 34.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -174.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.49 103.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -113.7 90.55 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -70.64 157.91 37.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.37 21.51 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.63 -26.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -12.22 53.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' CD2' ' A' ' 44' ' ' LEU . 11.0 mt -64.51 119.87 11.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -179.14 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -82.33 132.79 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 139.12 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.42 130.04 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 2.7 mm-40 -75.22 -171.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -34.98 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -139.26 -51.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.0 ptm -75.77 168.56 19.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 57' ' ' LEU . 77.5 mt -116.61 136.22 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -107.71 120.48 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.45 104.48 16.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.06 -18.73 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.68 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.77 154.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.45 166.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.67 0.747 . . . . 0.0 110.849 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.73 -5.8 17.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.286 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.26 129.18 55.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG23 ' A' ' 41' ' ' ILE . 61.6 t80 -93.84 133.02 37.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.73 142.85 50.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -122.04 118.63 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 17' ' ' LEU . 69.5 mt -108.45 123.37 48.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.36 103.36 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HE1' HD22 ' A' ' 96' ' ' LEU . 9.0 m-85 -95.37 155.52 38.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.79 -7.34 20.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -112.55 -172.44 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -125.3 123.72 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 40' ' ' ILE . 3.0 mt -102.7 174.1 6.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.6 tt -137.28 144.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -101.93 105.8 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.83 -168.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.35 -28.43 67.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.93 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 p -61.38 132.32 53.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 t -178.56 163.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.83 142.89 51.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -122.45 136.42 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.7 t80 -86.65 127.02 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.62 118.21 36.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 p -86.02 -37.14 19.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -29.99 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.02 -2.59 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 58.52 26.03 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.9 p -108.18 167.51 9.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD13 ' HD1' ' A' ' 67' ' ' TYR . 25.3 mm -116.73 133.59 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -109.06 124.56 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.27 125.0 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 139.39 47.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -150.79 128.73 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.34 152.0 38.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -103.7 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 56.0 mt -87.52 -23.8 24.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.04 123.68 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.36 159.23 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.68 16.96 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -96.48 150.99 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -126.71 -171.84 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 15' ' ' ILE . 27.3 m-85 -133.67 159.27 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.42 17.57 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.29 -29.82 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HA ' HD21 ' A' ' 96' ' ' LEU . 34.5 mt -54.89 -24.4 23.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.609 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.7 m-20 -63.49 -29.23 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -115.45 136.06 22.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -48.94 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 p -57.84 -36.22 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -57.18 -22.74 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.634 HD22 ' HE1' ' A' ' 53' ' ' PHE . 7.3 mt -91.5 -43.03 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.86 -37.75 87.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.76 40.43 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -66.92 176.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -112.22 -25.28 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.16 -148.39 42.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -106.89 23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 51.49 29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 106.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.27 146.92 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.88 104.65 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -135.63 147.86 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -144.83 160.57 41.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -140.74 141.97 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 110' ' ' THR . 1.8 t -140.0 104.52 4.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -110.67 133.51 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -90.38 147.56 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -85.39 161.56 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -81.05 145.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.46 -52.31 7.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -64.35 118.59 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -126.21 153.86 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.9 m -121.6 132.3 54.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -118.9 102.07 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -133.48 70.06 76.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -176.52 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 122' ' ' LEU . 4.3 pp -173.77 144.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.0 mt -120.53 107.68 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.39 158.31 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -145.27 144.39 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 p -156.6 137.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 pm0 -55.35 172.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.7 p -146.23 164.83 31.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -89.35 153.3 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.16 137.1 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.32 176.87 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.101 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 56.9 p -115.09 -26.56 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -61.52 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.6 mt -114.62 -32.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.837 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t -50.72 145.87 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.244 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.22 151.53 26.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.07 138.18 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 140.23 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.573 HG12 HD13 ' A' ' 17' ' ' LEU . 6.6 mt -110.49 141.96 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.99 146.39 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.8 mp0 -111.47 144.29 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.42 -166.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.02 21.97 16.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.95 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.06 -177.33 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.45 142.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -120.86 99.79 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD13 HG12 ' A' ' 8' ' ' ILE . 8.9 tp -92.44 124.11 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -109.17 134.54 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.53 128.67 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.5 116.82 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -137.71 159.45 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -80.57 -176.47 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -94.92 21.34 7.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pp -59.9 -177.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -51.8 103.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -107.45 88.04 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 m -71.69 164.16 26.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 25.87 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 m -113.55 -10.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.15 -7.31 21.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.2 mt -71.78 117.29 13.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -174.46 84.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -80.94 132.16 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.55 138.78 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.527 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.97 129.54 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 10.0 mm100 -75.77 -174.17 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.57 -37.25 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -137.15 -52.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.9 ptm -74.77 168.96 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.814 HD11 HD13 ' A' ' 57' ' ' LEU . 90.9 mt -117.43 137.49 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.2 mm -108.56 119.44 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -95.58 106.59 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -104.8 -18.21 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.8 157.31 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 62.72 166.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.78 -5.76 16.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.96 129.04 56.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.544 ' OH ' HG23 ' A' ' 41' ' ' ILE . 34.1 t80 -95.15 130.54 41.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 3' ' ' THR . 37.0 tp -129.21 148.89 51.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -125.19 128.83 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD1' HD22 ' A' ' 17' ' ' LEU . 95.7 mt -116.34 124.44 50.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -118.48 104.96 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CE1' HD22 ' A' ' 96' ' ' LEU . 10.4 m-30 -95.14 155.89 38.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.8 -7.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -112.71 -171.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -124.99 121.52 34.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -99.93 -177.22 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' HB ' HD21 ' A' ' 81' ' ' LEU . 12.4 tt -148.69 144.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.89 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.7 -168.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.09 -28.3 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -60.87 132.89 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -174.74 166.68 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.44 143.21 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -121.9 133.48 54.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -86.91 127.17 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.07 121.0 44.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.6 p -88.47 -31.94 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -27.81 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -128.26 1.84 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.96 30.18 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 72.2 m -111.38 170.51 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.433 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.1 mm -121.48 133.38 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.99 123.83 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.22 127.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 139.49 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.762 HG21 HD13 ' A' ' 40' ' ' ILE . 16.6 t -139.32 131.52 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.49 134.0 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -92.79 150.84 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD12 ' CG ' ' A' ' 56' ' ' GLU . 59.7 mt -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.02 139.62 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -80.08 160.73 25.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.38 19.29 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -91.37 145.4 24.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -129.3 178.45 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' HD11 ' A' ' 15' ' ' ILE . 36.7 m-85 -130.3 152.83 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.77 -13.94 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -90.26 -26.03 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.586 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.5 mp -58.11 -21.98 48.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' C ' HD13 ' A' ' 92' ' ' LEU . 7.8 t70 -66.76 -24.27 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -108.41 116.51 56.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.59 26.47 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 p -97.75 -33.14 11.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -67.03 -17.85 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.673 HD22 ' CE1' ' A' ' 53' ' ' PHE . 4.9 mt -90.73 -42.98 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.596 HD13 ' HD3' ' A' ' 99' ' ' ARG . 77.6 mt -60.05 -39.16 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.19 37.23 8.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.596 ' HD3' HD13 ' A' ' 97' ' ' LEU . 9.6 ptm180 -114.92 163.18 15.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -55.53 -63.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 65.86 -122.99 23.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -124.96 103.24 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 -16.76 53.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.39 160.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.62 46.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.59 109.24 12.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -96.45 162.41 13.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.84 148.81 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 pp -144.87 158.57 43.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 109.32 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -141.6 147.67 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.05 156.25 9.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -134.69 113.26 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.87 144.78 32.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.17 169.36 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -122.6 115.61 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -106.63 138.57 42.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -146.07 150.3 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -107.45 109.37 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.75 68.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.18 12.99 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.37 107.77 8.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.56 107.43 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -137.75 133.83 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -148.7 151.37 34.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 23.0 m -119.07 152.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -118.81 150.14 40.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.4 m -102.94 108.77 20.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -127.84 114.28 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.92 -151.27 16.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.5 m -113.14 167.99 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.2 t -120.06 109.17 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -157.24 176.67 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.5 -41.47 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.721 ' CG2' HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.48 146.46 9.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.166 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -85.75 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.5 153.51 41.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -163.23 139.89 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -124.42 138.76 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 11.5 mt -111.46 142.21 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.05 146.71 50.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.737 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -115.43 143.68 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.77 176.41 7.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.06 19.75 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -143.91 -40.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -157.41 179.05 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.9 mm -106.29 141.96 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -122.47 108.25 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.5 tp -99.02 124.47 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -109.46 137.38 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.04 138.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.51 131.21 46.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 pt -151.05 161.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -88.06 -171.47 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -94.95 20.43 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 pp -59.09 -176.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -52.19 102.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -106.44 91.41 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.5 m -72.37 163.37 28.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.68 21.49 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 t -111.66 -29.6 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.81 -7.96 65.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 44' ' ' LEU . 5.2 mt -73.02 114.23 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -174.19 84.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.51 131.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.16 137.34 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.03 129.56 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.88 -35.55 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -138.38 -51.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -75.07 174.52 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 58.8 mt -123.42 136.79 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.521 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.7 mm -108.41 120.52 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -96.42 101.34 12.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.43 -18.13 17.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -55.76 158.87 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.52 165.65 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.63 128.94 56.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.521 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -92.94 130.32 38.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.721 HD13 ' CG2' ' A' ' 3' ' ' THR . 48.2 tp -129.15 146.77 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -120.38 132.42 55.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.596 ' CD1' HD22 ' A' ' 17' ' ' LEU . 84.3 mt -120.04 115.48 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -110.88 103.51 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.0 m-85 -95.76 154.73 39.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.68 -10.21 28.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -110.22 -172.76 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.707 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 125.33 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -106.28 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD21 ' A' ' 81' ' ' LEU . 10.6 tt -145.63 144.33 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -100.63 106.77 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -116.12 -168.47 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.94 -26.34 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -31.06 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -65.89 132.86 49.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -178.77 162.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.97 141.82 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -123.42 150.14 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.437 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.34 127.0 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.83 117.19 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.4 p -89.17 -32.36 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -30.6 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -125.62 -1.45 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.0 27.57 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.3 m -111.55 176.65 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.437 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.0 mm -121.64 133.09 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.6 124.51 51.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.52 128.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.39 140.42 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 15' ' ' ILE . 4.0 p -151.12 131.25 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.47 151.49 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 166.69 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 56' ' ' GLU . 57.6 mt -84.33 -39.2 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.31 118.06 27.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.34 162.55 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.37 17.41 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.16 124.89 41.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -100.86 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.82 ' HB3' HD13 ' A' ' 90' ' ' LEU . 21.5 m-85 -132.29 155.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -116.25 -41.89 3.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.53 -22.62 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 87' ' ' PHE . 10.0 mp -62.58 -22.37 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.53 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.7 t0 -71.55 -28.92 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -111.88 117.8 47.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.81 27.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.5 p -95.06 -16.06 22.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HE3' HD23 ' A' ' 92' ' ' LEU . 2.0 mptp? -72.21 -22.51 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.3 mm? -86.67 -47.24 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.65 -30.81 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.81 105.22 15.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.59 166.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.46 111.08 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.08 64.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.514 ' C ' HD22 ' A' ' 103' ' ' LEU . 73.3 m-20 -96.75 29.08 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 102' ' ' ASP . 4.5 mm? -123.37 25.33 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.63 -22.42 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.91 149.82 5.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.41 102.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -114.56 117.69 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.07 152.95 25.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 109' ' ' LEU . 1.0 OUTLIER -117.94 153.78 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -155.84 117.78 4.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.21 144.01 28.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.55 162.76 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.5 m -99.09 -20.89 16.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 58.72 45.11 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.38 141.56 28.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -132.45 164.22 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.2 p -86.96 132.91 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -146.22 101.5 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -138.39 68.36 46.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -171.63 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.6 tt -137.92 115.41 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.68 116.59 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -99.09 147.24 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.65 135.38 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.4 t -117.39 50.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -132.91 129.19 38.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 34.2 m -128.25 132.14 48.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.13 120.48 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.9 120.24 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.04 138.21 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 p -129.81 155.58 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -124.18 164.0 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H2 ' HD21 ' A' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.2 mt -91.52 -32.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 HD23 ' A' ' 49' ' ' LEU . 1.4 t -54.68 145.26 41.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.29 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 146.04 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -157.96 135.79 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 138.56 54.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 96' ' ' LEU . 7.1 mt -111.98 143.12 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.05 146.48 50.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.701 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -110.94 143.98 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.27 173.77 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.98 13.98 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -137.38 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -158.82 -177.5 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.6 mm -106.16 141.82 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -121.26 108.82 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 51' ' ' LEU . 11.5 tp -98.9 123.65 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -110.54 134.8 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 HG22 HG23 ' A' ' 21' ' ' ILE . 4.2 mp -123.62 123.1 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.01 113.89 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.467 HG23 HG22 ' A' ' 19' ' ' ILE . 3.2 pt -144.14 -177.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.0 59.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -123.59 131.5 72.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.87 19.99 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' HD11 ' A' ' 74' ' ' ILE . 10.5 t80 -89.67 85.66 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -79.84 -16.42 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.65 24.21 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 27' ' ' SER . 46.3 t -116.22 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.43 -10.89 76.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.7 mt -50.82 125.04 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -172.62 83.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.472 HG13 HD12 ' A' ' 44' ' ' LEU . 59.7 mt -87.97 131.9 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.2 151.87 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.539 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -109.02 130.03 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -74.9 -171.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.02 -36.39 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -139.39 -50.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.414 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ptm -74.91 173.43 10.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -121.21 137.25 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.554 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.2 mm -108.12 120.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.74 104.16 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.9 -18.54 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.715 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.2 155.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.89 166.74 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -4.59 14.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -110.24 129.07 55.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' OH ' HG23 ' A' ' 41' ' ' ILE . 38.3 t80 -94.19 130.44 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.9 tm? -129.26 143.47 50.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.735 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.8 ttp180 -119.0 132.36 56.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 17' ' ' LEU . 68.0 mt -119.7 116.84 26.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -111.64 105.06 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.2 m-30 -95.71 155.11 38.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -8.38 23.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -114.28 -173.18 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HG3' HD12 ' A' ' 81' ' ' LEU . 10.1 pt-20 -124.41 120.56 32.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 40' ' ' ILE . 1.6 mt -96.96 -179.67 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.53 143.42 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -101.66 98.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.74 -173.55 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.25 -33.0 73.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -36.25 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.06 133.3 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -177.73 161.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.7 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -123.16 147.65 46.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.8 t80 -87.77 127.11 35.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.67 117.02 32.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 p -86.89 -44.54 11.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -20.7 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -122.93 -6.56 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 56.47 23.55 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.71 175.92 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' CE1' ' A' ' 26' ' ' PHE . 19.7 mm -122.73 131.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -110.78 124.38 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.65 129.37 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.87 140.53 46.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 6.4 p -150.41 128.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.61 150.99 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -102.16 157.95 16.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.1 mt -69.77 -23.79 63.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -134.05 127.16 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -69.98 162.69 27.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.06 18.93 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -89.65 138.91 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.96 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 23.9 m-85 -133.22 154.24 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -127.23 -1.87 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.32 17.44 22.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 8' ' ' ILE . 55.8 mt -92.01 3.98 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.19 14.56 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 1.2 mt -129.88 101.21 18.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' O ' HD13 ' A' ' 97' ' ' LEU . 53.5 Cg_endo -69.7 -5.68 16.76 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 p -95.72 -29.7 14.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 1.6 mptm? -75.56 -38.02 59.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 8' ' ' ILE . 10.3 mt -69.44 -46.42 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD21 ' H2 ' ' A' ' 1' ' ' GLY . 7.0 mp -56.31 -51.85 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 62.1 41.84 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -142.48 154.8 44.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -90.09 128.57 36.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.21 178.73 26.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -53.05 103.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.29 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.62 81.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.28 25.17 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -95.23 132.29 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -117.59 169.92 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -153.11 144.33 23.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 p -137.51 108.1 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.07 167.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -145.74 166.33 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.8 m -95.67 129.85 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.61 155.74 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.671 ' O ' HG22 ' A' ' 118' ' ' THR . . . -97.48 120.9 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -13.12 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -52.66 -33.83 48.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 115' ' ' ALA . 4.3 t -71.09 141.6 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.76 106.18 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -136.42 68.95 61.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.75 2.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.417 ' O ' HD12 ' A' ' 122' ' ' LEU . 4.2 pp -172.79 145.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.08 110.37 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.07 142.83 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.23 166.04 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.1 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -82.82 164.84 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.2 t -59.7 151.43 25.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.59 156.02 21.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.34 -142.13 12.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.85 163.01 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.4 t -112.89 177.07 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.07 164.09 25.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.5 mt -79.54 -32.18 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.626 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t -57.71 145.49 70.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.572 0.701 . . . . 0.0 111.18 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 154.55 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -171.43 131.86 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -124.92 142.68 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.719 HG21 HD22 ' A' ' 90' ' ' LEU . 11.3 mt -111.57 143.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -127.51 146.68 50.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.31 144.56 43.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.42 175.98 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.02 13.62 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -137.21 -41.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -158.05 -177.3 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.01 141.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -123.79 101.86 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD13 HG12 ' A' ' 8' ' ' ILE . 4.3 tp -98.61 124.42 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -109.91 140.01 44.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.69 143.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.69 132.39 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 pt -139.54 -176.45 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -123.76 26.8 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.26 53.56 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.591 ' O ' HD12 ' A' ' 24' ' ' ILE . 1.2 pp -119.77 137.02 55.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 47.58 33.7 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 37.7 t80 -82.55 100.96 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -118.31 115.83 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.33 -29.83 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.6 m -53.28 -29.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.41 -26.42 15.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 8.1 mp -51.31 109.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -174.65 68.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -70.11 134.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.51 153.69 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -113.71 129.98 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -73.91 -174.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.56 -35.17 39.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -139.22 -51.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.1 ptm -75.24 167.82 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.647 HD11 HG11 ' A' ' 78' ' ' VAL . 38.0 mt -112.0 136.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.589 HG23 ' OH ' ' A' ' 48' ' ' TYR . 45.4 mm -107.85 120.09 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -97.86 108.01 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.56 -18.87 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.58 155.13 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.85 166.85 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.2 Cg_endo -69.82 -4.51 14.21 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -109.36 129.35 55.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' OH ' HG23 ' A' ' 41' ' ' ILE . 69.2 t80 -93.84 134.16 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -128.55 142.96 50.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.54 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.7 tpp180 -123.05 114.69 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 17' ' ' LEU . 57.1 mt -104.5 124.28 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -116.34 102.95 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.7 m-30 -92.76 155.87 41.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.75 -8.0 22.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -116.85 -171.54 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 124.68 41.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -101.08 177.57 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 tt -137.72 141.48 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -99.75 109.44 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -119.61 -167.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.17 -22.59 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -29.98 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 p -67.2 132.51 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -175.79 165.15 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.65 143.18 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -122.57 135.61 54.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.501 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.87 127.03 35.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.88 117.93 35.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -86.36 -36.05 19.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -30.15 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -121.08 -5.34 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.14 26.67 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.52 170.96 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.501 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -118.62 133.8 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -108.63 124.2 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.51 124.98 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -111.88 140.02 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 40' ' ' ILE . 3.2 p -151.89 128.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.0 149.42 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.811 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -105.45 147.21 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.3 mt -53.31 -45.15 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.45 144.54 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -81.53 160.89 23.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.86 17.25 8.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.37 133.16 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -107.66 171.08 7.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 15' ' ' ILE . 43.8 m-85 -137.14 165.54 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.53 -37.28 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.719 HD22 HG21 ' A' ' 8' ' ' ILE . 35.6 mt -60.18 -17.67 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.606 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.1 t0 -93.67 10.19 33.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 91' ' ' ASP . 3.0 mt -143.0 103.53 5.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.2 p -93.51 -29.37 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 92' ' ' LEU . 9.5 mmtp -70.42 -35.65 73.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD13 HD22 ' A' ' 51' ' ' LEU . 4.7 mt -71.65 -45.84 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.66 -23.52 67.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.94 72.82 10.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 11.51 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -92.26 162.49 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.93 -161.8 26.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.23 99.4 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.41 35.91 20.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.55 -22.49 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.48 -46.51 8.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 108.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.1 148.5 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.58 141.07 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -155.05 148.16 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 p -152.32 109.22 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -111.72 177.14 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -54.57 123.57 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.8 p -73.52 170.14 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -145.3 153.59 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.08 176.92 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 151.3 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.8 167.95 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -54.59 140.18 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.83 106.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -148.51 69.29 10.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 111.82 2.91 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 tp -150.9 105.22 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -106.62 128.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -83.79 175.12 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -103.04 155.13 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.77 126.5 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -55.95 161.95 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.4 t -132.96 131.18 40.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -52.11 -36.01 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 105.82 130.57 6.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.06 166.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.7 m -156.77 153.57 28.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -117.46 176.73 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.4 ' C ' HG22 ' A' ' 3' ' ' THR . 43.5 mt -136.33 124.02 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.614 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER 170.6 146.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.581 0.705 . . . . 0.0 111.141 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -158.2 147.64 19.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -165.56 135.21 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -124.72 144.17 50.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.66 HG21 HD22 ' A' ' 90' ' ' LEU . 7.6 mt -111.41 142.5 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -127.97 146.55 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.702 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.87 144.67 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.53 177.51 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.54 17.49 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 -41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -155.89 -178.06 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.735 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.0 mm -105.75 141.07 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -121.94 100.34 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 8' ' ' ILE . 8.3 tp -97.83 124.56 42.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -110.0 139.27 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -126.7 127.11 69.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -90.16 129.67 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt -150.21 165.67 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -92.47 -170.69 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.13 20.72 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 25' ' ' ARG . 2.4 pp -58.3 -175.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 24' ' ' ILE . 20.3 mmt85 -50.08 104.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -118.71 93.18 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 29' ' ' VAL . 8.5 m -85.87 161.68 18.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.16 23.93 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' A' ' 27' ' ' SER . 16.5 m -110.39 -17.43 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.02 -7.64 30.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.74 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.3 mt -73.7 117.13 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.728 0.299 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -175.12 80.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -74.77 132.15 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 141.46 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.43 129.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.14 -171.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.15 -34.87 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -140.22 -51.11 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.76 171.15 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 53.7 mt -116.92 135.88 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.3 mm -107.46 120.14 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -96.67 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -103.88 -18.86 14.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.74 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.91 153.12 5.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.08 166.88 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.74 -4.82 14.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -108.89 128.96 55.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.1 t80 -94.49 132.89 38.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.79 143.3 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.523 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.4 ttp180 -122.4 116.3 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.578 ' CD1' HD22 ' A' ' 17' ' ' LEU . 51.1 mt -105.78 121.49 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -115.61 103.15 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.2 m-85 -95.59 155.02 39.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.72 -7.94 22.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -111.33 -172.91 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.0 pt-20 -126.3 120.17 29.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.5 mt -99.99 175.77 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.7 tt -137.28 144.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.51 95.13 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.07 -167.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.06 -28.72 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -67.73 -32.26 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -51.63 132.5 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.7 t -179.61 164.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.4 142.82 50.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -121.81 133.14 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.54 126.57 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.15 121.06 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -85.57 -38.04 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -30.12 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -122.47 -5.49 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 59.81 25.79 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.56 159.65 17.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.4 mm -106.71 134.17 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.77 123.29 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -116.74 125.0 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 140.58 46.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 40' ' ' ILE . 3.5 p -146.6 131.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.71 147.23 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.539 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.1 mmmt -101.31 155.93 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.2 mt -71.16 -27.8 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.47 129.83 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -75.18 161.59 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.15 17.16 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -93.07 137.3 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -113.37 -178.6 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE1' HD11 ' A' ' 15' ' ' ILE . 24.0 m-85 -133.19 153.51 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 17.06 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.89 -28.53 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 8' ' ' ILE . 40.0 mt -58.89 -21.29 57.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.617 ' C ' HD13 ' A' ' 92' ' ' LEU . 16.0 t0 -62.91 -27.17 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.618 HD23 ' HG3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -114.8 118.52 40.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' O ' HD23 ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.73 -7.45 21.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.9 p -93.61 -36.18 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.618 ' HG3' HD23 ' A' ' 92' ' ' LEU . 4.3 mmtt -51.21 -35.39 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.525 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -73.59 -42.91 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? -64.93 -49.79 68.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.88 43.53 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.6 mtp85 -95.31 124.41 39.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -104.26 114.24 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.33 156.11 13.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.25 111.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -104.39 -33.06 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.44 128.0 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.55 -143.09 0.34 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.66 25.93 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.12 141.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.58 177.5 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 109' ' ' LEU . 1.2 pt? -116.19 165.92 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -149.14 102.92 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.86 137.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -103.62 153.51 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.0 t -120.19 163.28 17.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.02 121.85 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.16 141.2 25.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.89 159.5 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -132.24 153.26 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.22 142.78 27.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -134.78 100.98 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -120.46 69.99 16.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.546 0.688 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.79 4.21 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -173.06 145.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.0 mt -114.39 126.2 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -117.17 148.19 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -161.89 155.56 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.93 140.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -81.47 165.32 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.8 t -142.68 155.11 44.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -164.35 171.98 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -175.09 88.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.53 108.58 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.2 t -119.02 137.22 53.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -71.63 -32.13 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.2 mt -82.73 -35.01 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.951 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -50.75 146.75 9.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.98 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 153.52 31.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -167.36 140.78 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.46 140.09 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -111.08 142.1 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 m -129.03 146.03 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.675 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -112.86 144.16 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.03 176.94 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -91.99 17.33 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -143.39 -41.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -155.05 -179.48 8.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.6 mm -103.67 141.52 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -119.0 98.99 6.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -95.36 122.81 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 24.2 ttpt -109.9 143.28 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -126.65 133.66 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -99.97 119.88 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.0 pt -132.07 178.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.21 27.91 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 40.66 59.59 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 117.52 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 51.42 31.59 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -66.97 109.32 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.452 ' O ' HD13 ' A' ' 31' ' ' LEU . 21.1 t -107.15 179.17 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.78 23.36 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -104.52 -25.79 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.87 -20.97 24.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 27' ' ' SER . 8.7 mp -51.78 112.2 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -174.91 72.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 HD12 ' A' ' 44' ' ' LEU . 81.0 mt -79.27 131.84 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.41 154.89 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 78' ' ' VAL . 2.7 mp -112.8 131.59 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.44 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.5 OUTLIER -76.01 -171.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.0 -37.06 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -138.31 -50.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.44 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.3 ptm -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 37.2 mt -115.98 138.45 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.572 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.5 mm -107.91 120.5 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -100.13 101.86 13.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.99 -17.56 18.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -52.14 156.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.29 166.04 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.75 129.1 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' OH ' HG23 ' A' ' 41' ' ' ILE . 49.4 t80 -93.05 130.0 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.951 HD22 HG21 ' A' ' 3' ' ' THR . 41.6 tp -128.7 147.04 50.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.75 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.512 HD22 HD13 ' A' ' 96' ' ' LEU . 71.5 mt -119.81 113.46 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 14.7 tpt180 -108.91 105.15 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -95.53 156.23 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.77 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -113.34 -173.06 2.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.77 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.6 pt-20 -125.41 120.26 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 40' ' ' ILE . 2.2 mt -100.79 173.83 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -135.33 144.72 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.58 106.32 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.8 -167.07 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.73 -34.58 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -61.98 -37.91 86.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 p -51.88 132.08 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -178.84 166.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.7 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -122.72 145.85 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -88.03 126.68 35.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.57 118.14 36.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.19 -25.94 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -31.95 64.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.08 3.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 59.89 31.25 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.5 m -110.79 172.35 6.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.6 mm -120.68 132.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -110.31 122.24 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.28 125.32 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.32 140.91 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 HD11 ' A' ' 40' ' ' ILE . 4.7 p -144.25 130.04 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -71.37 146.36 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 161.74 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 56' ' ' GLU . 48.6 mt -72.97 -43.05 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.26 119.69 35.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -64.66 161.57 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.86 17.24 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.41 127.24 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -104.95 179.36 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -131.82 148.59 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -123.26 16.97 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' HB2' ' HD3' ' A' ' 54' ' ' PRO . 61.6 m-20 -117.95 -14.8 10.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 8' ' ' ILE . 44.2 mt -66.66 -12.87 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.75 -23.71 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -106.71 108.66 62.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.11 22.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 p -95.86 -29.1 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.24 -24.22 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.654 HD13 HD11 ' A' ' 8' ' ' ILE . 3.1 mt -82.94 -47.01 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.24 -27.89 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.2 107.71 4.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -73.01 -30.13 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.57 122.26 16.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.29 149.09 19.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -101.35 28.88 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.7 mt -81.85 -25.53 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.01 114.94 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.48 66.52 0.14 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.91 105.02 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.74 14.7 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -120.55 151.67 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 109' ' ' LEU . 4.0 pp -143.77 137.35 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 p -137.26 108.35 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.12 170.76 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -129.28 161.52 30.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.8 m -156.63 140.73 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.37 147.36 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.84 174.11 10.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 125.69 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -78.13 112.04 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -120.31 162.19 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -56.28 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -144.45 71.6 15.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.615 0.721 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 133.49 25.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.39 108.21 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.1 mt -118.61 139.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -167.3 170.42 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -98.15 119.72 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.15 133.93 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -131.82 162.94 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.1 t -137.66 135.88 36.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -76.64 -46.64 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 123.33 149.38 7.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.07 143.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.3 t -116.6 176.85 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -130.04 175.87 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.36 -38.35 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.5 t -56.98 145.75 63.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 154.13 34.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 97' ' ' LEU . 45.3 p90 -167.88 130.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 142.09 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.757 HG12 HD13 ' A' ' 17' ' ' LEU . 11.2 mt -111.98 143.74 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -126.63 155.84 41.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HG3' HD12 ' A' ' 90' ' ' LEU . 4.0 mp0 -113.33 144.52 42.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.6 177.14 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.66 27.04 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -154.61 -40.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -157.02 -175.95 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.73 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.3 mm -103.02 141.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.74 97.9 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 8' ' ' ILE . 1.6 tp -97.03 124.4 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.6 ptpt -109.13 137.9 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.36 128.77 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.41 129.37 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 pt -150.83 148.32 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -68.07 -179.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -90.63 13.75 15.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -54.4 176.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -59.5 95.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CE2' HD11 ' A' ' 74' ' ' ILE . 11.9 t80 -59.35 135.97 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' H ' HD21 ' A' ' 31' ' ' LEU . . . 54.84 43.62 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 m -126.82 -36.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.34 28.41 3.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' H ' ' A' ' 28' ' ' ALA . 7.3 mt -56.38 118.47 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -173.75 83.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.72 131.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.65 155.84 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 40' ' ' ILE . 3.0 mp -117.33 129.33 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -72.02 -168.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -51.95 -35.57 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -141.72 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.4 ptm -73.58 170.61 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 78' ' ' VAL . 56.4 mt -116.26 137.15 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.7 mm -109.48 120.15 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -96.95 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.48 -18.92 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.54 153.19 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.76 166.88 0.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.853 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.76 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -108.57 129.05 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.445 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.4 t80 -94.87 132.52 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -129.32 143.37 50.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' H ' HD23 ' A' ' 49' ' ' LEU . 14.1 ttp180 -125.72 116.67 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 ' CD1' HD22 ' A' ' 17' ' ' LEU . 26.9 mt -108.74 134.52 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.45 106.6 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.635 ' CD2' HD11 ' A' ' 57' ' ' LEU . 5.9 m-30 -95.54 156.97 36.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.672 0.749 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.8 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.85 -171.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.1 pm0 -125.6 122.47 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 40' ' ' ILE . 2.4 mt -102.96 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 tt -139.29 142.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.23 102.62 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.97 -167.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -28.28 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -65.75 -30.49 71.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 p -51.09 131.48 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -178.95 166.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.95 143.28 42.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -122.02 132.8 54.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.8 127.47 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.41 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 p -87.35 -33.74 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -30.62 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -129.32 4.61 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 51.81 30.74 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.63 156.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.651 HD11 ' CE2' ' A' ' 26' ' ' PHE . 25.3 mm -106.26 133.45 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -109.13 121.91 46.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 t -118.12 129.73 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.96 139.1 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 40' ' ' ILE . 41.4 t -138.66 125.98 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.84 134.31 39.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -92.74 167.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 56' ' ' GLU . 60.8 mt -76.93 -33.15 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.98 126.2 39.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -65.17 164.61 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.71 20.64 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -86.38 144.98 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -122.46 173.82 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD11 ' A' ' 15' ' ' ILE . 39.7 m-85 -136.32 169.19 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -131.37 -42.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 -21.32 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 10' ' ' GLN . 24.0 mt -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 92' ' ' LEU . 59.0 m-20 -89.96 10.96 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.8 mt -140.74 104.02 6.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.5 Cg_endo -69.78 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.8 p -97.99 -8.66 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE2' HD13 ' A' ' 92' ' ' LEU . 13.0 mptt -95.96 -37.17 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.623 HD22 ' CE1' ' A' ' 53' ' ' PHE . 7.8 mt -68.46 -45.36 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 6' ' ' PHE . 95.8 mt -55.89 -26.13 45.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 117.04 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.36 -7.2 13.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -51.48 130.06 26.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.32 -153.29 6.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -140.79 104.92 4.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt 56.16 23.87 7.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 122.68 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.86 151.92 18.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.24 103.82 7.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -131.34 138.56 49.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -143.81 147.83 34.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 pp -126.72 152.25 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 t -155.31 112.25 3.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -138.56 160.73 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -152.54 165.63 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.4 p -144.0 158.78 43.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.57 171.47 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.38 140.0 52.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -84.63 116.97 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -122.86 158.77 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 t -113.16 142.19 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -156.26 109.28 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.12 68.35 4.81 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.74 106.08 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.22 123.81 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.07 137.09 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -95.47 108.64 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 p -133.9 140.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -139.85 164.86 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 m -130.7 150.68 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -142.19 114.25 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -143.56 -145.93 4.47 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.95 144.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -79.26 165.59 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.69 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 49' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.2 mt -144.17 118.5 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.793 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER 172.82 140.73 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.165 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.88 153.47 26.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -170.6 136.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.72 145.43 49.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.778 HG12 HD23 ' A' ' 17' ' ' LEU . 2.0 mt -112.54 143.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -127.78 145.32 50.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.677 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -110.11 144.54 38.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.54 171.73 13.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.45 6.56 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.01 -36.11 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.1 -174.02 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.3 mm -104.48 141.16 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -123.36 100.63 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -98.98 122.83 42.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.683 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.3 ptpt -109.99 139.84 44.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.0 mp -121.6 130.46 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -92.49 124.53 36.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.2 pt -149.99 150.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 m -74.55 -173.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.26 22.16 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.6 pt -56.71 -178.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 102.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -114.9 108.28 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -92.78 167.12 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.87 23.12 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.5 m -98.71 -31.64 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.48 -18.36 49.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.94 104.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.51 65.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -66.68 132.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -125.37 151.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -111.46 131.7 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -76.59 -171.26 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.3 -35.3 50.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.45 -50.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.9 ptm -75.52 171.67 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 84.0 mt -119.65 139.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -108.36 119.94 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -97.57 100.33 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -98.42 -18.71 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -50.85 153.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.468 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER 63.79 166.77 0.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.664 0.745 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.74 -4.86 14.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.28 128.73 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 41' ' ' ILE . 35.8 t80 -94.47 129.5 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.793 HD22 HG21 ' A' ' 3' ' ' THR . 55.5 tp -128.48 145.52 51.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.0 130.95 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 96' ' ' LEU . 83.3 mt -118.25 115.68 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 104.36 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 96' ' ' LEU . 15.9 m-30 -95.03 155.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.8 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -114.26 -172.15 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.722 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.5 pt-20 -126.83 122.9 36.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.1 mt -99.34 177.85 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 tt -135.74 140.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -99.72 98.35 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -107.15 -169.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.4 -26.01 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -70.51 -35.04 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.13 132.07 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -179.92 166.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.49 142.78 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.57 133.47 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.74 126.83 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 118.32 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -31.8 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -32.8 50.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -125.35 -1.32 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 26.59 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.54 161.04 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 44' ' ' LEU . 21.2 mm -110.28 133.41 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -110.3 123.53 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.39 124.81 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 140.61 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.696 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -147.34 130.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 60' ' ' ASP . . . -75.22 144.84 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.592 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.4 tmtt? -100.29 147.07 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' A' ' 56' ' ' GLU . 54.1 mt -51.98 -30.59 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -131.87 136.33 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -76.49 161.96 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.97 19.39 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.42 140.09 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -118.51 -175.27 2.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 31.6 m-85 -135.09 156.04 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.79 9.39 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.28 -14.49 9.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 87' ' ' PHE . 8.0 mp -64.26 -15.05 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.529 ' C ' HD13 ' A' ' 92' ' ' LEU . 8.3 m-20 -77.37 -25.17 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -110.86 117.43 50.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.693 . . . . 0.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.53 10.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 p -65.74 -35.5 80.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.54 -20.4 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.71 HD13 HD11 ' A' ' 8' ' ' ILE . 3.2 mt -87.38 -43.99 11.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.35 -25.61 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.61 47.64 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -55.59 -34.92 65.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -51.77 -53.94 34.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 154.57 113.78 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -113.68 105.63 13.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.9 mt -99.69 26.92 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.04 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 61.33 173.08 1.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -120.83 99.73 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.71 16.39 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.53 128.58 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -136.58 142.03 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.3 p -148.78 115.44 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.74 102.2 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -129.91 144.28 51.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.1 p -99.65 122.04 42.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -148.71 108.01 3.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.51 117.5 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -101.39 176.31 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -153.99 171.46 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.0 t -152.32 142.88 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -136.38 168.99 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 54.21 71.64 1.3 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.2 mt -110.54 27.37 9.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 35.9 mt -94.45 115.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -112.82 117.63 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -135.73 125.19 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.13 134.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.36 135.95 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 67.8 p -136.8 108.04 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.47 113.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.35 -32.68 59.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 84.3 t -91.14 116.4 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.8 m -63.8 135.46 56.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.0 -31.28 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mt -133.73 122.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.669 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER 170.9 145.63 0.12 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 111.128 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -157.22 141.02 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -156.63 133.7 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -124.97 143.14 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG12 HD23 ' A' ' 17' ' ' LEU . 1.6 mt -112.15 142.48 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.09 146.47 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -112.43 144.37 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.77 177.47 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.49 16.36 12.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -143.01 -40.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -155.62 -177.26 6.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.4 mm -104.92 141.19 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -119.73 95.39 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -97.26 122.97 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.9 ptpt -109.81 141.45 42.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -125.18 116.39 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.7 123.86 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -148.3 170.66 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -99.98 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 18.85 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 25' ' ' ARG . 2.8 pp -57.65 -175.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' O ' HD12 ' A' ' 24' ' ' ILE . 11.6 ptm180 -49.58 104.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -119.16 87.02 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -73.16 158.28 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 20.65 14.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.69 -29.34 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.01 -15.06 53.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.2 mt -62.88 117.36 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -173.93 82.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 HD12 ' A' ' 44' ' ' LEU . 66.5 mt -77.33 131.95 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.32 140.2 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.23 129.36 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -72.68 -169.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.38 -36.63 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -137.05 -49.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.417 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -76.64 172.67 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.844 HD11 HD13 ' A' ' 57' ' ' LEU . 93.0 mt -120.33 136.38 57.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.9 mm -108.16 120.3 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -97.89 102.12 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.68 -18.99 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.751 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.04 156.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.23 166.38 0.11 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -5.34 15.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -110.84 128.92 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.1 t80 -94.31 129.34 41.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 3' ' ' THR . 50.2 tp -128.61 146.03 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 132.75 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -121.85 122.43 39.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -116.27 108.06 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.642 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.1 m-30 -96.04 156.04 37.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.77 -7.29 20.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -115.56 -172.14 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.597 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -123.33 123.0 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.844 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -102.33 -175.4 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.96 144.73 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.86 106.23 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.35 -166.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.56 -33.42 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.48 -36.1 82.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 p -56.71 132.18 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 t -173.12 158.94 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.6 143.38 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.36 132.15 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.38 126.82 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -107.24 113.66 27.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -83.56 -32.99 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -24.52 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.41 3.35 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 52.01 29.6 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.5 t -111.46 155.11 23.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -109.96 132.78 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -110.12 123.66 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 125.28 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -104.99 140.05 38.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.763 HG21 HD13 ' A' ' 40' ' ' ILE . 21.4 t -141.03 126.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -77.22 134.39 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.58 155.6 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.597 HD12 ' CG ' ' A' ' 56' ' ' GLU . 58.5 mt -68.7 -46.33 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -114.53 127.33 55.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.38 161.01 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.47 16.78 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.08 126.21 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -104.0 179.24 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.1 m-85 -134.58 155.87 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -127.18 14.9 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.73 -19.61 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 10' ' ' GLN . 29.3 mt -64.06 -15.62 59.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 92' ' ' LEU . 14.3 t0 -90.98 14.11 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.9 mt -138.5 106.51 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.99 17.56 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.32 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.8 p -93.62 -34.79 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -57.16 -56.97 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.566 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -53.65 -49.11 68.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mp -63.91 -25.46 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.59 37.23 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -137.59 149.54 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.19 -24.75 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.2 115.79 0.95 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.53 24.93 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 mt 51.82 29.05 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.35 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.45 -57.11 6.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.24 45.63 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.14 143.44 45.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.53 176.66 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.66 161.45 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.22 103.26 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.11 147.25 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -141.13 134.63 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 72.2 p -148.1 116.17 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -112.56 -34.85 5.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.58 126.29 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 171.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.46 133.74 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.2 m -83.67 129.29 34.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -57.61 105.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -120.11 68.67 13.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.02 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.66 104.34 14.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.5 mt -119.73 141.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.2 163.28 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -120.11 161.61 20.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 69.2 t -110.82 117.46 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -150.59 149.44 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.2 t -149.97 157.96 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -160.24 159.95 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.46 132.2 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.36 146.63 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.3 p -119.91 147.88 44.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -128.75 155.48 45.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.32 -41.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.637 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.2 t -51.41 145.78 13.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.57 0.7 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.02 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.92 159.72 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -173.05 131.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.4 m -124.6 142.47 51.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.653 HG12 HD13 ' A' ' 17' ' ' LEU . 7.4 mt -111.12 142.96 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -127.66 145.94 50.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 8.8 mp0 -106.99 144.25 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.13 176.01 7.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -92.38 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.91 -39.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -157.43 -175.39 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm -106.54 141.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -121.2 104.08 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD13 HG12 ' A' ' 8' ' ' ILE . 7.2 tp -99.61 124.48 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -110.03 137.93 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.25 133.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.23 128.85 38.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt -150.59 151.69 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -173.91 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -95.08 25.84 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -57.22 -177.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.02 96.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -95.62 103.9 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -88.43 170.78 10.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.11 26.32 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 29' ' ' VAL . 14.1 t -112.87 -6.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.15 4.38 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 44' ' ' LEU . 2.9 mt -86.6 114.37 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -174.46 79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.72 131.99 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.44 140.32 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.18 130.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -75.99 -173.26 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.04 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -140.05 -52.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.45 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.29 170.05 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 57' ' ' LEU . 59.2 mt -116.48 135.74 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.3 mm -107.85 120.44 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -96.62 107.18 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -106.57 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 45' ' ' SER . 1.2 tt -55.8 154.54 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.544 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 63.68 166.85 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.8 -4.87 14.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -110.45 129.07 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 63.2 t80 -94.56 133.8 37.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -129.19 143.17 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -122.71 115.71 22.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 17' ' ' LEU . 53.4 mt -105.3 127.5 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -120.78 103.42 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.9 m-85 -94.36 155.76 39.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.71 -7.22 20.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -117.37 -171.95 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.689 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.2 pt-20 -125.46 125.35 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -101.24 179.7 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -138.13 142.56 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.14 100.98 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.63 -167.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -71.0 -24.84 62.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 p -63.91 131.95 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -178.25 163.24 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.72 142.75 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -123.06 131.19 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.426 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.5 t80 -89.15 129.4 35.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.05 122.99 48.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.2 p -86.83 -40.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -26.73 33.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -115.75 -14.75 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.76 25.8 14.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 173.24 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.426 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.7 mm -122.35 132.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -109.81 124.45 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.01 125.56 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.32 140.53 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -155.82 124.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.0 152.73 32.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.46 168.64 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.689 HD12 ' HG3' ' A' ' 56' ' ' GLU . 70.6 mt -74.73 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.6 142.65 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.16 159.09 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 m120 61.58 18.06 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -94.12 148.62 22.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -129.46 -170.67 2.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 33.2 m-85 -135.13 155.27 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -118.27 -8.46 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -97.24 -25.56 15.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 87' ' ' PHE . 7.4 mp -59.04 -19.87 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.6 m-20 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -114.56 111.41 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.8 p -95.3 -22.79 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -75.05 -26.52 59.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 53' ' ' PHE . 6.0 mt -78.65 -50.41 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.38 -66.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.43 36.2 23.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -94.23 177.18 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -116.92 -25.9 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.0 -138.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -100.26 106.7 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 pp -75.11 -36.11 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.19 166.02 17.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.42 22.61 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -119.69 146.88 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -144.18 135.89 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.81 152.57 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 t -155.32 115.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -116.66 143.92 45.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -113.58 116.87 30.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 t -55.14 160.04 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -127.39 110.48 12.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.54 159.03 15.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 108.41 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -153.81 137.16 15.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 118' ' ' THR . 1.9 t -52.91 105.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -157.4 108.42 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -117.86 68.12 6.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -170.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 122' ' ' LEU . 3.2 pp -140.94 128.75 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.0 mt -145.54 134.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -104.09 145.28 30.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -128.59 148.29 50.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.21 141.62 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -150.0 138.48 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 t -155.99 109.25 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -137.34 177.23 8.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -160.27 -131.28 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.66 133.34 69.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.4 t -103.62 147.1 27.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -106.81 145.7 31.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.5 mt -113.75 -31.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 1.028 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t -51.11 146.23 11.36 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.612 0.72 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.04 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -153.5 151.74 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -166.88 141.76 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.84 140.17 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 17' ' ' LEU . 3.3 mt -110.94 142.08 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.5 145.73 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.6 pt20 -114.78 143.85 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.13 172.08 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.15 9.0 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.25 -38.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -163.13 -176.62 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.4 mm -105.85 141.67 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -120.48 100.49 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 8' ' ' ILE . 2.0 tm? -96.16 122.9 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.569 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.2 ttpt -110.16 142.29 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -127.75 132.71 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -94.19 113.23 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.418 HD11 HG12 ' A' ' 74' ' ' ILE . 4.3 pt -145.08 -177.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.5 -177.44 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -95.08 29.24 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -23.15 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.39 41.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 5.0 t80 -79.81 91.87 5.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.2 m -83.83 -16.73 43.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.67 25.7 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.98 -24.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.57 12.2 58.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt -75.3 125.62 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -176.24 88.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.496 HG13 HD12 ' A' ' 44' ' ' LEU . 61.6 mt -95.36 131.69 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.6 155.83 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.45 130.2 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -76.69 -169.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -52.42 -36.44 54.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -140.0 -49.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.412 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 3.6 ptm -76.56 175.91 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.841 HD11 HD13 ' A' ' 57' ' ' LEU . 69.6 mt -124.01 138.63 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.32 120.72 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -98.88 105.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -102.32 -18.1 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.739 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.74 156.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 60.63 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.74 -5.62 16.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -109.22 129.23 55.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 39.9 t80 -94.29 129.95 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.028 HD22 HG21 ' A' ' 3' ' ' THR . 40.5 tp -128.96 148.64 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -124.15 130.92 53.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -117.24 115.65 25.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG3' ' HE3' ' A' ' 39' ' ' MET . 0.1 OUTLIER -110.96 104.96 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.2 m-85 -96.52 155.36 37.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -110.76 -172.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.5 pt-20 -127.61 118.56 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -97.46 176.99 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -138.31 142.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.56 105.37 17.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.76 -165.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.82 -33.98 75.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.579 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.94 -36.39 83.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 133.68 52.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -178.33 170.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.69 142.81 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -122.01 132.79 54.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' HD1' HD13 ' A' ' 74' ' ' ILE . 7.0 t80 -86.98 130.74 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.45 123.22 48.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -32.3 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.21 33.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -133.15 5.41 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 51.73 32.18 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.19 162.38 14.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.495 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 26.3 mm -112.96 132.11 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.97 122.74 48.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.28 123.59 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 140.0 48.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -142.34 135.91 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -75.12 144.6 42.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CD ' HD23 ' A' ' 57' ' ' LEU . 27.5 tptp -101.08 146.55 27.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.759 HD12 ' HG3' ' A' ' 56' ' ' GLU . 42.0 mt -56.74 -44.28 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -119.5 126.28 50.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.8 162.44 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.2 18.42 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.18 131.98 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -109.83 177.44 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 28.8 m-85 -134.12 146.08 49.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -118.15 13.93 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.48 -18.82 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 87' ' ' PHE . 10.2 mp -64.7 -19.59 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' C ' HD13 ' A' ' 92' ' ' LEU . 4.8 t70 -69.94 -18.62 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -117.04 111.06 40.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 0.0 110.94 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.2 p -94.29 -21.97 18.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 92' ' ' LEU . 82.7 mttt -67.01 -27.33 67.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.506 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.2 mm? -79.07 -47.54 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 49' ' ' LEU . 24.1 mt -65.23 -44.27 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.74 50.41 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.19 155.83 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -52.12 108.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.87 23.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.9 109.8 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 103' ' ' LEU . 7.6 tt -63.89 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.15 -22.36 25.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.94 78.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.52 -8.9 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.94 116.89 18.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -165.37 155.17 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.22 135.17 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 p -151.24 106.0 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -85.98 115.78 23.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -155.66 136.18 13.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.7 t -152.38 138.46 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -135.12 153.45 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.11 127.2 36.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -78.42 106.39 10.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -97.55 115.71 28.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 m -123.38 118.49 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -131.63 103.58 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -147.16 69.02 11.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.555 0.693 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 112.05 2.98 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.394 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.0 mt -145.32 108.13 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.6 mt -106.91 130.37 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -158.61 155.69 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -135.73 144.66 46.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.5 t -106.1 114.93 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -101.93 104.15 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.2 p -146.85 168.23 21.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -156.04 162.35 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.75 135.33 3.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.8 p -153.89 140.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 t -126.0 169.79 12.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -133.01 170.89 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.6 mt -85.33 -29.93 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -55.61 144.47 54.39 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.61 0.719 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -153.17 154.32 34.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -169.49 137.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -124.04 138.83 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 51' ' ' LEU . 8.7 mt -111.15 142.19 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -128.28 147.3 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.704 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -114.5 143.72 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.04 172.92 11.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -89.6 11.91 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.64 -38.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -161.75 -178.14 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.6 mm -106.25 141.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -120.79 100.53 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 51' ' ' LEU . 7.6 tp -93.66 123.41 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -110.06 137.54 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 21' ' ' ILE . 2.9 mp -125.99 131.65 71.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -94.06 104.3 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 19' ' ' ILE . 1.3 pt -131.42 -175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.52 174.4 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.59 29.01 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 24' ' ' ILE . 11.3 pt -59.79 93.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 50.65 37.72 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -64.28 112.71 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.575 ' O ' HD21 ' A' ' 31' ' ' LEU . 58.3 m -103.98 -172.82 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.09 21.94 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 29' ' ' VAL . 2.6 p -120.63 88.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.3 -41.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -50.43 108.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -158.52 81.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.553 HG13 HD12 ' A' ' 44' ' ' LEU . 64.0 mt -76.75 132.15 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.71 144.65 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -105.26 131.86 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -75.59 -170.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.31 -36.56 63.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -137.08 -50.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.449 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.2 ptm -76.58 172.19 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 66.8 mt -119.63 137.32 53.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.0 mm -108.3 120.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.91 103.02 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -99.65 -18.46 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.87 153.91 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 64.46 166.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.79 -5.14 15.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.97 128.74 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' OH ' HG23 ' A' ' 41' ' ' ILE . 41.3 t80 -92.98 129.91 38.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.2 tm? -128.64 143.16 50.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.716 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.6 ttt180 -119.36 133.08 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 17' ' ' LEU . 97.3 mt -121.7 116.48 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.5 m-85 -96.24 156.08 37.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.37 -172.57 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.693 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.4 pm0 -125.19 123.88 40.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -103.19 177.87 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.1 tt -139.85 144.21 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.48 99.07 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.86 -167.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -68.58 -28.71 67.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -32.71 72.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -60.54 133.28 55.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.18 161.94 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.72 143.2 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -121.93 131.75 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.5 t80 -87.29 126.97 35.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -101.42 120.2 39.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -85.81 -49.43 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -21.97 18.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -116.61 -12.24 10.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 58.31 24.39 11.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.9 p -112.35 164.92 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.434 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -115.13 132.51 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.17 124.56 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 t -115.83 125.53 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 141.17 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 40' ' ' ILE . 4.0 p -154.14 131.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.08 151.94 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -177.35 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD12 ' CG ' ' A' ' 56' ' ' GLU . 68.3 mt -96.52 -27.72 14.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.74 112.32 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -58.87 162.67 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 20.83 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -99.8 132.42 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -108.19 176.22 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.793 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.5 m-85 -130.37 154.85 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -115.3 -39.63 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.05 -25.03 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 87' ' ' PHE . 9.8 mp -59.93 -25.02 64.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.572 ' C ' HD13 ' A' ' 92' ' ' LEU . 19.1 t0 -67.58 -27.22 66.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.762 HD23 ' HE2' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -114.78 117.89 41.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -93.13 -22.69 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.762 ' HE2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -65.75 -25.22 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.511 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -86.29 -40.77 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 49' ' ' LEU . 79.2 mt -71.43 -65.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.04 74.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -158.79 144.38 16.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -112.32 -23.98 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.46 105.9 1.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -130.17 109.69 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mt 51.81 28.73 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.8 147.09 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.3 -153.93 12.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.47 -8.17 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.53 22.31 12.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.77 179.71 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -150.84 176.92 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 m -150.04 116.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.07 -175.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -135.2 168.68 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 t -103.83 153.18 21.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -157.88 172.76 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.07 177.18 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -94.75 147.92 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 157.56 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.9 m -116.37 111.62 20.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -111.84 104.69 13.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -120.28 68.5 13.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.512 0.672 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.407 ' C ' HD12 ' A' ' 122' ' ' LEU . 53.5 Cg_endo -69.77 -178.77 2.5 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 121' ' ' PRO . 5.8 mp -136.4 111.37 8.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -103.68 106.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.04 158.7 13.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.63 150.31 44.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 p -123.52 139.91 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.61 170.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.0 m -147.41 128.89 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.46 157.99 21.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -172.7 121.53 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -104.1 107.79 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.3 t -158.95 153.88 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.28 175.43 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.1 p30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.2 mt -99.15 -33.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 49' ' ' LEU . 1.1 t -50.42 145.73 10.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -49.09 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.14 152.81 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.37 144.18 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.93 139.79 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 HD13 ' A' ' 90' ' ' LEU . 4.4 mt -110.87 141.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -129.51 145.66 51.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.693 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.17 144.34 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.52 176.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -92.4 19.59 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -145.09 -41.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -155.12 -178.6 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.693 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.8 mm -105.88 141.99 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.46 100.7 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.676 HD23 HG12 ' A' ' 8' ' ' ILE . 1.7 tm? -96.89 123.17 40.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' N ' HD22 ' A' ' 17' ' ' LEU . 30.7 ttpt -109.8 142.9 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.8 mp -126.92 128.03 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.11 115.77 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.9 pt -135.51 -179.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -105.95 -170.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.59 21.08 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.61 -176.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.62 101.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 36.1 t80 -112.94 101.42 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.556 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.4 m -101.81 167.04 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.74 22.57 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 p -93.11 -30.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.21 -20.73 19.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 27' ' ' SER . 6.4 mp -50.06 111.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -177.47 82.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.434 HG13 HD12 ' A' ' 44' ' ' LEU . 83.8 mt -86.45 132.65 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -125.37 155.42 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.62 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -114.45 128.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 21.3 mm100 -74.55 -173.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.41 -36.24 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.78 -51.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.12 170.07 16.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 56.7 mt -119.54 138.26 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.532 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.59 119.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -98.43 104.6 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -100.59 -18.95 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.71 158.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 60.96 165.92 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.77 -5.31 15.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.23 . . . . 0.0 112.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -111.43 129.32 56.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.8 t80 -92.84 130.11 38.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.7 tm? -129.14 143.26 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.754 ' N ' HD13 ' A' ' 49' ' ' LEU . 22.9 ttp180 -122.71 129.28 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.6 mt -117.33 128.45 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 6.9 tpt180 -120.5 106.56 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.604 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -96.43 156.56 36.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.4 Cg_endo -69.78 -6.51 18.79 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -113.53 -171.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.791 ' HG3' HD12 ' A' ' 81' ' ' LEU . 7.9 pt-20 -128.01 122.09 31.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.76 -176.16 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 tt -147.14 144.27 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -104.09 107.43 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.46 -166.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.96 -36.44 83.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -32.06 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -51.1 132.92 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -178.13 166.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.17 143.06 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -121.97 133.42 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.8 t80 -86.38 126.69 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.95 121.62 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -86.39 -36.85 18.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -30.44 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -124.54 -3.09 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 57.96 27.45 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.0 p -111.67 156.29 22.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 29.4 mm -103.59 134.14 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -108.91 122.32 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.1 t -117.2 124.99 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 140.61 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 40' ' ' ILE . 4.2 p -142.16 132.46 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.26 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.28 144.35 27.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 56' ' ' GLU . 31.5 mt -55.76 -35.06 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -130.61 136.47 48.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -72.3 161.87 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.2 m120 61.03 21.51 11.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 135.97 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -121.96 -174.98 3.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.669 ' CE1' HD11 ' A' ' 15' ' ' ILE . 25.2 m-85 -133.96 161.4 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.19 9.03 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.403 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 6.3 p-10 -109.62 -30.2 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 8' ' ' ILE . 16.8 mt -52.32 -26.66 12.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.657 ' C ' HD13 ' A' ' 92' ' ' LEU . 10.5 m-20 -57.49 -24.19 54.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -118.06 119.61 33.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.591 ' O ' HD23 ' A' ' 97' ' ' LEU . 54.2 Cg_endo -69.74 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.6 p -94.24 -28.81 15.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.567 ' HG3' HD23 ' A' ' 92' ' ' LEU . 13.6 mmtm -56.78 -23.51 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.493 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -90.05 -43.53 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? -63.22 -30.84 71.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.23 114.3 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.55 177.73 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -160.36 158.8 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.57 -58.41 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.23 106.56 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 tp -110.24 -26.03 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.39 153.29 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.45 91.72 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 111.42 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.95 19.41 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.75 134.12 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 109' ' ' LEU . 4.5 pp -153.3 150.8 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.04 111.54 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.74 151.51 46.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -154.0 140.08 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -110.0 161.23 15.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -122.6 176.51 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.18 176.95 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -73.05 107.31 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -147.35 154.6 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -56.97 158.51 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -139.91 106.87 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -155.01 69.4 5.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.93 25.92 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.272 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.8 tp -152.9 105.71 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.11 117.12 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.22 165.3 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -132.98 134.27 44.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.24 106.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -55.04 147.57 15.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.4 p -115.14 106.9 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.05 152.53 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -153.7 131.58 3.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.96 117.34 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -120.94 149.91 41.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.66 121.05 42.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.0 mt -86.41 -32.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.807 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -50.33 146.84 8.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.123 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -160.19 161.8 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -171.68 147.46 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.13 139.0 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 HD22 ' A' ' 90' ' ' LEU . 11.8 mt -111.15 142.71 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -128.27 146.63 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.3 mp0 -111.0 144.21 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 168.4 18.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -86.79 7.61 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 -34.21 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -168.87 -174.49 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.9 mm -106.16 142.69 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -124.55 99.9 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 8' ' ' ILE . 6.8 tp -94.39 123.78 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -110.1 136.39 49.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.15 145.0 30.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.67 131.92 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 pt -140.71 173.2 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.2 22.5 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.64 50.95 17.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.24 114.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 60.31 32.53 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -73.67 102.65 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.488 ' O ' HD21 ' A' ' 31' ' ' LEU . 34.4 p -99.51 173.68 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.76 23.74 10.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 29' ' ' VAL . 11.6 p -120.5 -10.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.79 -6.4 21.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 27' ' ' SER . 3.9 mt -73.8 117.1 15.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.22 82.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -79.75 131.38 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.15 152.73 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.504 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.18 129.1 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -170.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -51.81 -33.93 37.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -142.69 -50.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE3' ' HG2' ' A' ' 52' ' ' ARG . 3.0 ptm -74.64 173.5 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -119.44 136.37 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.486 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -108.26 120.7 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -98.39 106.24 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -104.86 -18.4 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -54.26 156.92 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.549 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.3 166.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.77 -5.58 16.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.78 128.51 56.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.0 t80 -94.64 131.61 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.807 HD22 HG21 ' A' ' 3' ' ' THR . 23.6 tp -129.13 146.68 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.11 125.31 46.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 17' ' ' LEU . 83.8 mt -113.68 125.42 54.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' HE3' ' A' ' 39' ' ' MET . 3.2 tmt_? -118.19 106.24 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.638 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.9 m-30 -95.61 155.67 38.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -109.95 -172.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.5 pt-20 -125.22 121.19 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -100.02 -178.92 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -141.26 144.86 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.14 103.57 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -167.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -25.01 67.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -71.87 -35.27 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.88 131.67 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 62' ' ' ARG . 9.9 t -179.8 167.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.65 142.77 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -121.9 132.1 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.68 126.93 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -105.75 121.89 44.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -86.78 -34.03 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -31.68 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -125.44 -0.23 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.81 28.49 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.54 156.84 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.482 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.7 mm -105.22 134.1 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.78 121.91 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.69 127.06 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.23 140.23 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 40' ' ' ILE . 21.9 t -140.03 133.24 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -79.9 133.31 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.524 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.54 150.94 22.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 56' ' ' GLU . 37.0 mt -67.36 -27.35 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -137.04 129.31 29.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.99 162.81 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.4 m120 60.11 20.55 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.64 127.78 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -108.62 174.36 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 20.8 m-85 -133.15 169.26 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -129.27 -38.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.6 -20.85 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.698 HD22 HG21 ' A' ' 8' ' ' ILE . 18.2 mt -62.33 -16.22 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' HD23 ' A' ' 92' ' ' LEU . 6.5 m-20 -89.97 13.59 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.6 mt -141.56 102.58 5.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -6.31 18.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.9 p -98.1 -7.23 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -87.25 -36.0 18.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.522 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.5 mm? -74.06 -34.47 64.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.05 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.55 30.59 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 174.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -110.35 27.97 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.71 77.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' A' ' 104' ' ' ALA . 10.7 t70 -93.65 102.43 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.483 ' H ' HD23 ' A' ' 103' ' ' LEU . 1.4 pt? -60.07 -25.37 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' OD2' ' A' ' 102' ' ' ASP . . . -74.77 149.92 39.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.51 38.48 17.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.17 104.14 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -126.33 130.79 51.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.92 131.98 53.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.67 113.2 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 t -152.5 115.65 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' O ' HG22 ' A' ' 113' ' ' THR . 18.0 tt0 -70.97 144.11 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -55.78 104.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 111' ' ' GLU . 13.9 t -166.44 158.38 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.56 106.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -156.28 174.97 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.99 147.77 42.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.24 153.85 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 p -53.47 171.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -58.53 101.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.74 71.05 1.78 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 169.87 17.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.3 mt -142.52 126.84 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.11 127.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -158.93 161.03 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -101.35 124.85 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.48 167.23 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -116.7 155.05 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 82.4 p -89.87 176.94 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.38 170.41 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 166.79 149.98 6.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.13 160.37 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -85.14 -56.71 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -162.55 177.81 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' N ' HD22 ' A' ' 109' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 98.9 mt -82.62 -33.2 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 111.119 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.606 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t -56.81 144.91 65.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 146.37 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -162.6 133.26 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.62 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.756 HG12 HD23 ' A' ' 17' ' ' LEU . 2.4 mt -112.33 143.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 m -127.88 145.91 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.673 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.01 144.46 43.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.87 172.43 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -87.92 8.41 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.64 -36.67 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -166.89 -179.12 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.9 mm -100.29 141.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -123.22 96.96 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.756 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -97.64 123.47 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.1 ptpt -109.77 138.5 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.937 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.3 mp -119.65 119.5 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.28 99.76 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.32 162.99 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.1 m -91.3 -176.56 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -91.36 18.01 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -55.77 -179.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -50.47 103.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 58.3 t80 -112.55 97.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.482 ' HB3' HG22 ' A' ' 29' ' ' VAL . 66.5 m -98.14 157.62 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.8 19.5 7.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 27' ' ' SER . 5.8 m -103.12 76.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.22 -22.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.424 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.626 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 6.3 mp -55.39 100.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -165.97 68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.47 131.98 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.97 153.9 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.81 129.63 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.0 mm-40 -73.27 -172.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.29 -37.33 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -139.36 -49.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.2 ptm -74.9 167.96 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 57' ' ' LEU . 60.1 mt -110.42 136.85 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.59 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.9 mm -108.33 119.73 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -100.05 105.59 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -20.49 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -51.52 154.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 61.12 167.01 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.695 0.759 . . . . 0.0 110.832 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.71 -5.72 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 5.7 m-85 -108.84 128.58 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' HG23 ' A' ' 41' ' ' ILE . 60.2 t80 -94.07 133.82 37.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.7 OUTLIER -126.16 142.83 51.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' H ' HD23 ' A' ' 49' ' ' LEU . 3.7 tpp85 -123.42 113.42 18.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 8' ' ' ILE . 75.1 mt -105.38 122.33 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -114.65 105.62 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' A' ' 96' ' ' LEU . 12.9 m-30 -96.16 155.54 38.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.69 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -113.96 -172.75 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 81' ' ' LEU . 9.0 pt-20 -123.45 121.67 36.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 40' ' ' ILE . 3.8 mt -100.09 176.73 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -140.86 144.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -103.93 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.22 -167.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.96 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.49 133.0 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -172.23 162.1 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 143.14 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.67 131.23 53.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.6 t80 -88.47 126.99 35.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -101.59 121.63 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.4 t -87.44 -44.51 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -19.63 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -123.69 -5.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 52.44 28.43 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.9 t -112.84 155.51 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.424 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.9 mm -109.78 131.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -111.31 124.3 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.53 125.96 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.75 140.6 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 47.2 t -144.67 128.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.0 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -93.69 141.96 27.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' HG3' ' A' ' 56' ' ' GLU . 52.9 mt -51.63 -30.75 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.01 125.36 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -67.85 163.0 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 61.09 19.71 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.19 131.9 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -109.81 -177.38 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -132.78 160.67 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 14.57 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.33 -17.98 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.35 -13.54 58.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' O ' HD13 ' A' ' 92' ' ' LEU . 31.8 m-20 -82.07 -9.96 59.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' HD2' ' A' ' 95' ' ' LYS . 1.4 mm? -116.88 107.57 45.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.34 20.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.9 p -100.44 -29.94 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.639 ' HD2' HD23 ' A' ' 92' ' ' LEU . 84.7 mttt -66.09 -24.74 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 8' ' ' ILE . 1.5 mt -84.85 -44.03 13.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.28 -26.41 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.66 73.25 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 17.96 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.07 -172.14 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.71 -47.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.08 24.87 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.29 74.16 3.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -110.11 136.31 49.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -149.07 -144.97 4.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -108.3 -9.66 15.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.19 139.18 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -110.82 28.16 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 1' ' ' GLY . 3.9 mp 50.55 47.54 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.16 105.93 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -95.43 139.86 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.21 114.78 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.8 t -156.97 162.08 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -123.84 172.1 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.6 157.05 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -119.27 108.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -158.48 149.66 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -88.58 111.68 22.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -155.94 107.66 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -120.54 68.32 14.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.254 . . . . 0.0 112.385 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 tt -133.09 102.93 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 52.1 mt -138.8 121.21 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -148.34 112.07 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -155.04 166.63 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.34 102.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -136.36 164.98 26.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -158.5 154.77 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -118.64 164.69 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.18 -152.31 6.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.07 135.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 111.115 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -106.52 173.47 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -122.32 160.74 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.631 ' HA2' HD12 ' A' ' 49' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.9 mt -133.77 116.14 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.787 HG21 HD22 ' A' ' 49' ' ' LEU . 0.5 OUTLIER 172.83 146.04 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -159.07 148.52 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -163.88 138.55 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -124.12 144.03 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.751 HG12 HD23 ' A' ' 17' ' ' LEU . 2.3 mt -112.25 142.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.29 145.96 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.709 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -113.35 144.79 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.05 174.61 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.46 8.29 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.99 -37.45 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -164.8 -175.3 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 10' ' ' GLN . 6.3 mm -105.09 141.32 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -123.66 101.53 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD23 HG12 ' A' ' 8' ' ' ILE . 1.2 tm? -99.54 123.63 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.666 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.0 ptpt -109.99 141.41 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -123.73 128.58 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -90.82 118.93 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pt -150.99 173.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -118.84 -176.68 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -85.15 6.45 25.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.786 HD12 ' HG2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -51.43 -42.41 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.786 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -141.16 100.35 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CE1' HD11 ' A' ' 74' ' ' ILE . 3.9 t80 -155.68 93.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.465 ' HB2' HG22 ' A' ' 29' ' ' VAL . 49.2 m -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.85 25.07 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 27' ' ' SER . 25.4 m -117.62 5.06 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.65 6.1 3.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt -69.4 114.58 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -165.97 85.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' ILE . 86.3 mt -90.59 130.79 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.42 152.89 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.589 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -106.21 130.34 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.16 -172.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.07 -35.14 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -140.96 -51.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptm -75.52 173.88 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 57' ' ' LEU . 36.2 mt -119.66 138.41 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.575 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.74 119.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -98.62 103.93 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -101.42 -18.07 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.768 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.87 152.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 61.75 167.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.79 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -108.97 128.54 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.3 t80 -95.39 129.81 42.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.787 HD22 HG21 ' A' ' 3' ' ' THR . 44.6 tp -128.66 147.98 50.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -121.84 130.82 53.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 96' ' ' LEU . 56.5 mt -116.84 110.53 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -105.3 104.75 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.3 m-30 -96.12 155.22 38.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -113.97 -174.08 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.745 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -124.75 118.18 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 1.8 mt -95.15 -175.32 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.3 tt -144.1 143.18 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 103.35 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -167.46 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.54 -32.0 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.97 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.9 m -64.29 132.0 48.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 t -178.49 163.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.61 142.01 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -123.46 149.51 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.2 t80 -87.92 127.35 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.31 118.24 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -87.75 -32.48 19.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -28.82 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.31 6.7 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.31 28.63 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 p -109.07 168.33 9.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.531 HD11 ' CE1' ' A' ' 26' ' ' PHE . 21.4 mm -115.96 132.57 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.46 125.01 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -114.39 125.96 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 140.35 45.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 3.1 p -149.57 127.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.76 149.22 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 57' ' ' LEU . 5.6 tptm -107.41 140.61 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' A' ' 56' ' ' GLU . 51.6 mt -51.69 -48.0 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -110.6 118.69 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -66.32 158.59 28.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m120 63.29 16.26 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -92.05 139.12 30.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -113.68 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CE1' HD11 ' A' ' 15' ' ' ILE . 26.6 m-85 -134.08 161.12 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.52 10.46 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.06 -26.27 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 8' ' ' ILE . 80.2 mt -57.32 -23.74 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.54 ' C ' HD13 ' A' ' 92' ' ' LEU . 77.6 m-20 -65.33 -22.73 66.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -114.83 113.71 44.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.643 0.735 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -9.25 25.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.4 p -92.85 -18.06 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -71.31 -22.15 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.489 HD22 ' H ' ' A' ' 96' ' ' LEU . 1.2 mm? -85.57 -48.57 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' HD11 ' A' ' 49' ' ' LEU . 11.4 mt -71.5 -57.61 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.64 62.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -156.44 179.14 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.15 123.32 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -140.74 10.38 2.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.33 54.44 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.648 HD13 ' N ' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -124.63 -1.1 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.478 ' N ' HD22 ' A' ' 103' ' ' LEU . . . -58.74 137.8 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.34 -105.94 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.39 103.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -105.64 172.19 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -95.63 175.37 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -163.69 169.22 18.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -141.72 104.5 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.28 177.42 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -53.22 167.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.8 t -57.2 138.7 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -168.02 174.33 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.24 143.7 17.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.27 155.1 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -54.37 166.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 44.9 p -98.81 112.43 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -138.02 109.3 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -131.42 68.36 81.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -172.35 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 120.98 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.0 mt -110.38 123.6 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 177.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -125.67 132.98 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.58 142.13 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.75 115.88 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 m -81.93 138.88 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -94.71 150.18 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -139.91 97.4 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.93 106.36 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.7 p -119.13 157.17 28.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -131.85 174.54 10.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.9 mt -133.2 119.12 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.809 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER 171.37 146.24 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 53.9 Cg_endo -69.78 -81.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.284 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 3.2 mpt_? -138.39 148.76 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -162.04 145.35 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.44 140.11 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 90' ' ' LEU . 9.8 mt -108.51 141.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -129.1 147.21 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.721 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -116.89 144.13 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -128.02 178.86 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.33 29.04 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -155.14 -40.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.96 178.61 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.7 mm -106.43 141.95 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.6 106.32 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.9 tp -97.85 124.99 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 134.19 52.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.03 132.63 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -97.07 134.64 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 pt -151.39 148.27 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 -173.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -94.47 20.53 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -56.42 -179.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -52.34 102.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -121.39 110.65 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -105.72 -177.88 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.58 24.32 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.12 -28.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.41 -18.03 24.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -52.37 109.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -175.17 67.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG13 HD12 ' A' ' 44' ' ' LEU . 78.9 mt -70.99 132.48 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.73 155.73 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.584 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -114.81 132.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 1.1 mm-40 -76.58 -172.37 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -37.18 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -137.68 -51.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -75.31 171.5 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 57' ' ' LEU . 91.1 mt -118.2 138.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.95 120.37 59.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -98.85 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -102.71 -18.86 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD12 HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -51.13 154.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.37 166.42 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.81 -4.97 15.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.37 128.75 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -93.25 131.31 38.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.809 HD22 HG21 ' A' ' 3' ' ' THR . 53.3 tp -129.13 148.49 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -122.65 130.21 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.599 ' CD1' HD22 ' A' ' 17' ' ' LEU . 71.5 mt -116.66 114.67 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 103.89 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.9 m-30 -95.78 155.06 38.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.75 -8.03 22.55 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -112.91 -173.24 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -124.28 124.32 42.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 40' ' ' ILE . 4.0 mt -106.36 173.09 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.1 tt -136.02 144.4 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.43 105.59 17.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 -168.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -68.53 -25.51 64.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -28.86 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -66.4 132.45 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -179.17 161.12 1.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.03 148.54 45.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -87.55 127.25 35.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.22 114.41 28.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -85.0 -30.38 24.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.82 54.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.83 6.02 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 53.66 26.99 6.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.87 168.97 8.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.438 HD13 ' HD1' ' A' ' 67' ' ' TYR . 21.6 mm -117.21 132.85 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -109.84 124.5 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 t -114.46 125.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.27 139.23 46.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 40' ' ' ILE . 4.1 p -148.76 135.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.75 147.55 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 172.02 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.9 mt -86.73 -34.62 19.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 117.13 23.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -63.8 161.25 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.95 17.33 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.05 144.09 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.3 -174.06 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.682 ' CE1' HD11 ' A' ' 15' ' ' ILE . 21.5 m-85 -132.77 159.53 39.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.2 22.14 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.08 24.53 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 8' ' ' ILE . 61.1 mt -101.87 -3.95 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' C ' HD13 ' A' ' 92' ' ' LEU . 6.0 m-20 -92.4 -15.21 27.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -108.07 102.78 47.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.76 -7.71 21.76 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.9 p -99.25 -19.94 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -67.61 -40.91 84.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.32 -52.13 50.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.607 HD23 ' HD3' ' A' ' 99' ' ' ARG . 8.6 mp -54.17 -39.76 66.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.5 46.34 26.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.607 ' HD3' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -132.51 149.53 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.89 152.52 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 155.3 -130.18 2.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -78.96 108.68 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.9 mt -87.68 -37.11 17.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.68 111.15 23.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 149.96 142.14 3.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 52.17 34.29 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.73 166.62 10.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -152.36 166.35 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.32 135.75 39.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.17 113.65 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -76.81 108.98 10.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -127.68 121.14 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.8 t -86.39 142.32 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -131.91 162.91 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -98.32 176.87 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.28 174.29 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -107.45 170.51 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -102.4 162.44 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.44 105.88 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.47 69.01 78.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.68 3.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.342 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.481 HD13 ' N ' ' A' ' 123' ' ' ILE . 0.3 OUTLIER -144.17 124.12 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 122' ' ' LEU . 65.6 mt -126.2 111.91 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -106.04 16.18 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.96 130.11 36.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -109.42 53.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.25 22.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.2 t -86.64 137.16 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -115.43 146.43 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -144.35 77.94 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.12 143.63 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.105 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.1 t -87.13 176.48 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -78.56 -63.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 mt -78.6 -51.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.575 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.1 t -50.93 146.36 10.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.68 -83.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 1.4 mpp_? -135.34 162.02 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -164.88 147.83 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.9 139.12 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 90' ' ' LEU . 12.8 mt -111.7 142.86 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -128.23 146.64 50.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.79 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -115.0 144.38 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.2 175.15 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -89.85 12.6 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.54 -39.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -160.83 177.62 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.1 mm -102.78 141.32 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.02 101.9 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -95.32 123.21 38.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -110.49 135.46 51.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.49 133.91 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.26 119.66 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pt -150.95 -175.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -120.55 176.63 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -93.85 20.61 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -53.08 99.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? 49.26 31.66 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.3 106.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.2 m -111.73 162.33 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.66 24.67 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 29' ' ' VAL . 4.6 m -108.78 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.01 -25.55 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.0 mt -57.84 110.31 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.346 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -166.76 89.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -82.36 131.88 32.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.39 145.05 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -103.98 130.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -74.62 -169.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.02 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -139.16 -49.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.407 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.3 ptm -76.62 170.91 15.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -116.36 132.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG23 ' OH ' ' A' ' 48' ' ' TYR . 44.8 mm -104.0 120.28 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -100.2 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -102.33 -18.4 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.561 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.1 153.72 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 62.64 166.75 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.2 Cg_endo -69.76 -5.1 15.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -109.46 129.46 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' OH ' HG23 ' A' ' 41' ' ' ILE . 67.2 t80 -94.25 134.41 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -128.74 143.75 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.55 113.01 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 HD13 ' A' ' 96' ' ' LEU . 70.3 mt -103.75 119.38 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.78 97.1 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.655 ' HD2' HD11 ' A' ' 57' ' ' LEU . 14.9 m-30 -85.68 156.77 58.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.74 -6.83 19.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -117.4 -173.65 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -121.59 123.11 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 40' ' ' ILE . 1.3 mt -100.31 172.9 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.97 142.37 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 98.7 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.22 -167.28 1.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.55 -25.59 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -32.34 63.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 t -64.26 132.56 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.22 161.03 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.84 141.78 50.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -123.49 136.78 54.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.4 t80 -86.45 127.3 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.75 118.51 36.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 p -86.35 -38.41 17.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -30.14 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -119.74 -8.4 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.94 25.04 14.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.6 p -109.94 169.12 8.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.0 mm -115.68 133.28 62.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -109.79 124.84 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.49 127.62 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -111.34 141.17 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 40' ' ' ILE . 3.6 p -155.65 127.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 150.39 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HG3' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.27 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 56' ' ' GLU . 50.7 mt -80.14 -17.01 53.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.69 123.09 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -65.29 163.8 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 m120 60.58 18.72 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -95.76 140.28 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -117.88 -177.35 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.9 m-85 -134.94 163.47 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.11 14.94 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -136.18 26.66 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 8' ' ' ILE . 56.9 mt -99.88 7.4 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.79 15.13 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -129.42 99.85 20.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.694 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.4 Cg_endo -69.85 -6.83 19.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.282 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -94.39 -36.72 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 5.7 mptp? -65.19 -39.58 93.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 HD22 ' A' ' 51' ' ' LEU . 5.6 mt -70.78 -43.08 69.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.16 -43.55 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.56 147.21 8.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -118.84 138.01 53.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -121.07 141.91 50.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.64 147.4 50.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.63 117.63 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 103' ' ' LEU . 1.1 pt? -113.31 -25.92 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.44 151.89 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.92 -122.51 2.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.19 103.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.69 162.52 20.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -98.99 159.48 14.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.7 m -155.47 110.02 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.04 149.43 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -93.4 163.73 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 m -145.02 129.13 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.45 125.21 27.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.09 168.39 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 148.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 136.79 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 m -70.38 109.88 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -77.71 102.71 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -122.89 68.86 35.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.28 6.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.9 tp -133.97 121.39 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.1 mt -109.33 123.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -66.09 135.64 54.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -95.35 151.67 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 126' ' ' VAL . 9.8 p -96.81 30.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -112.67 27.39 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 t -128.88 26.02 5.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.23 -45.83 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.63 126.19 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.5 m -103.25 151.72 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.354 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -62.68 171.15 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -93.52 -58.46 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.6 117.34 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.57 145.63 0.22 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.539 0.685 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.43 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.53 144.61 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -161.01 133.22 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 138.17 54.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 17' ' ' LEU . 11.0 mt -111.72 143.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 146.51 50.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.69 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.92 143.87 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.21 169.39 16.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -86.33 6.84 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -126.7 -36.44 2.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.53 -176.52 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 HD21 ' A' ' 90' ' ' LEU . 5.6 mm -105.11 141.76 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -124.76 110.58 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 HG12 ' A' ' 8' ' ' ILE . 3.4 tp -101.44 124.72 47.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' ' 17' ' ' LEU . 21.1 ttpt -109.5 139.14 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.81 124.17 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -88.5 135.07 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 pt -150.71 173.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 m -127.6 15.96 7.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 58.1 26.94 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.764 HD12 ' HG2' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -63.96 -37.8 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.764 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -141.12 38.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 23' ' ' ASN . 3.9 t80 -88.1 101.1 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 m -81.02 -27.46 35.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' A' ' 31' ' ' LEU . . . 59.72 27.75 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 27' ' ' SER . 45.8 t -119.94 -26.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.36 17.13 34.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.743 HD22 ' CD2' ' A' ' 44' ' ' LEU . 8.9 mt -67.1 122.39 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -174.58 88.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 44' ' ' LEU . 92.7 mt -89.69 130.98 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.43 154.14 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 78' ' ' VAL . 3.1 mp -107.95 130.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.6 OUTLIER -75.02 -170.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.33 -35.92 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -141.33 -49.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.432 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 6.1 ptm -75.57 174.11 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 57' ' ' LEU . 67.1 mt -117.79 137.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.0 mm -108.86 120.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.6 101.16 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.26 -17.39 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.743 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.88 151.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 62.32 167.65 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.865 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.76 -5.54 16.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -107.13 128.94 54.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.485 ' OH ' HG23 ' A' ' 41' ' ' ILE . 47.7 t80 -94.7 129.41 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.0 tm? -128.78 143.43 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.714 ' N ' HD13 ' A' ' 49' ' ' LEU . 4.3 ttp180 -119.86 135.21 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' HD22 ' A' ' 17' ' ' LEU . 94.3 mt -124.97 115.18 20.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -108.42 109.65 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.2 m-30 -96.47 156.66 36.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -6.2 18.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -118.28 -171.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 81' ' ' LEU . 1.6 pm0 -124.11 123.92 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.712 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -101.14 -175.5 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.99 143.81 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.68 107.78 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 -172.87 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.27 -35.9 76.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -60.66 -37.62 82.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.02 132.49 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -173.44 164.97 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.17 143.2 50.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -122.35 131.85 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.2 t80 -87.83 127.0 35.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -102.5 118.07 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -86.49 -42.51 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -19.56 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -123.98 -5.87 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.92 26.45 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.76 161.86 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 15.2 mm -117.07 132.16 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -110.31 123.97 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.5 t -115.99 130.75 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -111.29 140.18 46.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.592 HG21 HD13 ' A' ' 40' ' ' ILE . 85.6 t -145.13 124.97 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -78.33 134.27 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.712 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.5 tmtt? -94.1 143.64 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 56' ' ' GLU . 54.8 mt -52.47 -42.85 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -120.6 140.39 51.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -77.59 162.05 27.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 61.63 17.73 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -89.82 116.13 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -94.32 173.88 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.789 ' HB3' HD13 ' A' ' 90' ' ' LEU . 29.0 m-85 -134.07 159.92 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -118.67 -43.45 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.14 -17.2 57.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 87' ' ' PHE . 8.7 mp -64.35 -14.44 56.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' HD23 ' A' ' 92' ' ' LEU . 20.8 m-20 -97.14 9.47 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD21 ' O ' ' A' ' 107' ' ' ASP . 5.2 mt -137.06 102.85 9.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -7.27 20.62 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -95.17 -23.54 17.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 106' ' ' ALA . 56.0 mmtt -80.61 -27.46 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' PHE . 5.5 mt -80.97 -42.38 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 49' ' ' LEU . 67.9 mt -65.24 -52.0 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.34 109.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.12 5.81 24.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -139.66 128.11 22.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.04 116.04 3.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.35 106.04 10.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 tp -106.17 -27.14 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.25 47.44 1.04 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.432 ' HB2' ' HE3' ' A' ' 95' ' ' LYS . . . -88.43 103.77 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.606 ' O ' HD21 ' A' ' 92' ' ' LEU . 71.4 m-20 -101.75 155.02 18.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -160.77 152.28 19.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.8 mt -139.81 132.26 28.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 t -156.73 110.73 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -135.24 127.94 30.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -75.8 145.41 40.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 p -110.31 -171.91 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.09 160.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 64.96 51.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -151.72 172.68 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 118' ' ' THR . 19.1 ttmt -98.52 14.74 27.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 117' ' ' LYS . 10.1 t 36.96 43.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -115.79 117.7 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.84 67.07 0.48 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 109.62 2.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -153.82 103.93 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.7 mt -83.35 112.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -148.55 135.69 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.62 120.66 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.4 m -147.36 135.45 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -103.76 117.67 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -101.58 141.97 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -150.42 176.18 11.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -178.63 98.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 23.1 m -89.85 153.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.8 t -113.99 -26.42 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 63.28 36.08 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.571 0.701 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.77 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -157.16 146.26 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -161.86 131.62 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -124.53 140.36 53.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 17' ' ' LEU . 9.9 mt -111.83 143.12 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.64 146.3 50.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.7 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -111.48 144.25 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.03 177.65 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.77 17.93 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -142.36 -41.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.77 -176.53 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.6 mm -106.05 141.39 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -122.56 101.82 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 8' ' ' ILE . 3.9 tp -99.2 124.26 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.1 ptpt -110.28 137.9 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -125.33 130.94 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.54 131.24 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' CD2' ' A' ' 44' ' ' LEU . 11.0 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -179.14 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -82.33 132.79 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 139.12 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.42 130.04 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 2.7 mm-40 -75.22 -171.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -34.98 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -139.26 -51.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.0 ptm -75.77 168.56 19.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 57' ' ' LEU . 77.5 mt -116.61 136.22 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.549 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -107.71 120.48 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.45 104.48 16.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.06 -18.73 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.68 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.77 154.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.45 166.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.67 0.747 . . . . 0.0 110.849 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.73 -5.8 17.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.286 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.26 129.18 55.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG23 ' A' ' 41' ' ' ILE . 61.6 t80 -93.84 133.02 37.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.73 142.85 50.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.485 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -122.04 118.63 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 17' ' ' LEU . 69.5 mt -108.45 123.37 48.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.36 103.36 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HE1' HD22 ' A' ' 96' ' ' LEU . 9.0 m-85 -95.37 155.52 38.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.79 -7.34 20.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -112.55 -172.44 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -125.3 123.72 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 40' ' ' ILE . 3.0 mt -102.7 174.1 6.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.6 tt -137.28 144.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -101.93 105.8 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.83 -168.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.35 -28.43 67.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.93 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 p -61.38 132.32 53.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 t -178.56 163.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.83 142.89 51.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -122.45 136.42 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.7 t80 -86.65 127.02 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.62 118.21 36.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 p -86.02 -37.14 19.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -29.99 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.02 -2.59 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 58.52 26.03 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.9 p -108.18 167.51 9.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD13 ' HD1' ' A' ' 67' ' ' TYR . 25.3 mm -116.73 133.59 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -109.06 124.56 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.27 125.0 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 139.39 47.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -150.79 128.73 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.34 152.0 38.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -103.7 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 56.0 mt -87.52 -23.8 24.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.04 123.68 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.36 159.23 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.68 16.96 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -96.48 150.99 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -126.71 -171.84 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 15' ' ' ILE . 27.3 m-85 -133.67 159.27 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.42 17.57 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.29 -29.82 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HA ' HD21 ' A' ' 96' ' ' LEU . 34.5 mt -54.89 -24.4 23.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.609 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.7 m-20 -63.49 -29.23 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -115.45 136.06 22.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -48.94 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 p -57.84 -36.22 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -57.18 -22.74 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.634 HD22 ' HE1' ' A' ' 53' ' ' PHE . 7.3 mt -91.5 -43.03 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.837 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.568 0.699 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.244 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.22 151.53 26.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.07 138.18 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 140.23 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.573 HG12 HD13 ' A' ' 17' ' ' LEU . 6.6 mt -110.49 141.96 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.99 146.39 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.8 mp0 -111.47 144.29 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.42 -166.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.02 21.97 16.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.95 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.06 -177.33 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.45 142.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -120.86 99.79 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.573 HD13 HG12 ' A' ' 8' ' ' ILE . 8.9 tp -92.44 124.11 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -109.17 134.54 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.53 128.67 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.5 116.82 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.2 mt . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -174.46 84.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -80.94 132.16 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.55 138.78 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.527 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.97 129.54 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 10.0 mm100 -75.77 -174.17 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.57 -37.25 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -137.15 -52.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.9 ptm -74.77 168.96 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.814 HD11 HD13 ' A' ' 57' ' ' LEU . 90.9 mt -117.43 137.49 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.2 mm -108.56 119.44 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -95.58 106.59 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -104.8 -18.21 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.8 157.31 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 62.72 166.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.78 -5.76 16.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.96 129.04 56.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.544 ' OH ' HG23 ' A' ' 41' ' ' ILE . 34.1 t80 -95.15 130.54 41.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 3' ' ' THR . 37.0 tp -129.21 148.89 51.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -125.19 128.83 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD1' HD22 ' A' ' 17' ' ' LEU . 95.7 mt -116.34 124.44 50.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -118.48 104.96 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CE1' HD22 ' A' ' 96' ' ' LEU . 10.4 m-30 -95.14 155.89 38.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.8 -7.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.71 -171.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -124.99 121.52 34.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -99.93 -177.22 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' HB ' HD21 ' A' ' 81' ' ' LEU . 12.4 tt -148.69 144.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.89 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.7 -168.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.09 -28.3 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -60.87 132.89 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -174.74 166.68 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.44 143.21 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -121.9 133.48 54.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -86.91 127.17 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.07 121.0 44.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.6 p -88.47 -31.94 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -27.81 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -128.26 1.84 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.96 30.18 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 72.2 m -111.38 170.51 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.433 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.1 mm -121.48 133.38 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.99 123.83 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.22 127.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 139.49 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.762 HG21 HD13 ' A' ' 40' ' ' ILE . 16.6 t -139.32 131.52 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.49 134.0 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -92.79 150.84 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.61 HD12 ' CG ' ' A' ' 56' ' ' GLU . 59.7 mt -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.02 139.62 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -80.08 160.73 25.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.38 19.29 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -91.37 145.4 24.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -129.3 178.45 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' HD11 ' A' ' 15' ' ' ILE . 36.7 m-85 -130.3 152.83 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.77 -13.94 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -90.26 -26.03 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.586 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.5 mp -58.11 -21.98 48.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.406 ' C ' HD13 ' A' ' 92' ' ' LEU . 7.8 t70 -66.76 -24.27 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -108.41 116.51 56.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.59 26.47 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 p -97.75 -33.14 11.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -67.03 -17.85 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.673 HD22 ' CE1' ' A' ' 53' ' ' PHE . 4.9 mt -90.73 -42.98 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.52 ' CD2' HD11 ' A' ' 49' ' ' LEU . 77.6 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.721 ' CG2' HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.601 0.715 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -85.75 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.5 153.51 41.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -163.23 139.89 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -124.42 138.76 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 11.5 mt -111.46 142.21 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.05 146.71 50.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.737 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -115.43 143.68 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.77 176.41 7.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.06 19.75 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -143.91 -40.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -157.41 179.05 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.9 mm -106.29 141.96 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -122.47 108.25 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.5 tp -99.02 124.47 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -109.46 137.38 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.04 138.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.51 131.21 46.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 44' ' ' LEU . 5.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.788 0.328 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -174.19 84.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.51 131.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.16 137.34 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.03 129.56 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.88 -35.55 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -138.38 -51.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -75.07 174.52 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 58.8 mt -123.42 136.79 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.521 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.7 mm -108.41 120.52 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -96.42 101.34 12.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.43 -18.13 17.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -55.76 158.87 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.52 165.65 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.63 128.94 56.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.521 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -92.94 130.32 38.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.721 HD13 ' CG2' ' A' ' 3' ' ' THR . 48.2 tp -129.15 146.77 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -120.38 132.42 55.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.596 ' CD1' HD22 ' A' ' 17' ' ' LEU . 84.3 mt -120.04 115.48 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -110.88 103.51 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.606 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.0 m-85 -95.76 154.73 39.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.68 -10.21 28.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -110.22 -172.76 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.707 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 125.33 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -106.28 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD21 ' A' ' 81' ' ' LEU . 10.6 tt -145.63 144.33 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -100.63 106.77 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -116.12 -168.47 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.94 -26.34 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -31.06 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -65.89 132.86 49.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -178.77 162.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.97 141.82 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -123.42 150.14 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.437 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.34 127.0 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.83 117.19 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.4 p -89.17 -32.36 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -30.6 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -125.62 -1.45 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.0 27.57 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.3 m -111.55 176.65 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.437 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.0 mm -121.64 133.09 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.6 124.51 51.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.52 128.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.39 140.42 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 15' ' ' ILE . 4.0 p -151.12 131.25 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.47 151.49 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 166.69 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 56' ' ' GLU . 57.6 mt -84.33 -39.2 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.31 118.06 27.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.34 162.55 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.37 17.41 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.16 124.89 41.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -100.86 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.82 ' HB3' HD13 ' A' ' 90' ' ' LEU . 21.5 m-85 -132.29 155.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -116.25 -41.89 3.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.53 -22.62 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 87' ' ' PHE . 10.0 mp -62.58 -22.37 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.53 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.7 t0 -71.55 -28.92 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -111.88 117.8 47.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.81 27.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.5 p -95.06 -16.06 22.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HE3' HD23 ' A' ' 92' ' ' LEU . 2.0 mptp? -72.21 -22.51 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.3 mm? -86.67 -47.24 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 HD23 ' A' ' 49' ' ' LEU . 1.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.564 0.697 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.29 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 146.04 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -157.96 135.79 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 138.56 54.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 96' ' ' LEU . 7.1 mt -111.98 143.12 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.05 146.48 50.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.701 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -110.94 143.98 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.27 173.77 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.98 13.98 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -137.38 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -158.82 -177.5 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.6 mm -106.16 141.82 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -121.26 108.82 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 51' ' ' LEU . 11.5 tp -98.9 123.65 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -110.54 134.8 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 HG22 HG23 ' A' ' 21' ' ' ILE . 4.2 mp -123.62 123.1 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.01 113.89 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.467 HG23 HG22 ' A' ' 19' ' ' ILE . 3.2 pt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.7 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -172.62 83.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.472 HG13 HD12 ' A' ' 44' ' ' LEU . 59.7 mt -87.97 131.9 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.2 151.87 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.539 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -109.02 130.03 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -74.9 -171.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.02 -36.39 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -139.39 -50.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.414 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ptm -74.91 173.43 10.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -121.21 137.25 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.554 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.2 mm -108.12 120.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.74 104.16 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.9 -18.54 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.715 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.2 155.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.89 166.74 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -4.59 14.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -110.24 129.07 55.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.554 ' OH ' HG23 ' A' ' 41' ' ' ILE . 38.3 t80 -94.19 130.44 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.9 tm? -129.26 143.47 50.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.735 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.8 ttp180 -119.0 132.36 56.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 17' ' ' LEU . 68.0 mt -119.7 116.84 26.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -111.64 105.06 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.2 m-30 -95.71 155.11 38.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -8.38 23.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -114.28 -173.18 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HG3' HD12 ' A' ' 81' ' ' LEU . 10.1 pt-20 -124.41 120.56 32.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 40' ' ' ILE . 1.6 mt -96.96 -179.67 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.53 143.42 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -101.66 98.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.74 -173.55 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.25 -33.0 73.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -36.25 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.06 133.3 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -177.73 161.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.7 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -123.16 147.65 46.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.8 t80 -87.77 127.11 35.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.67 117.02 32.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 p -86.89 -44.54 11.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -20.7 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -122.93 -6.56 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 56.47 23.55 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.71 175.92 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.447 HD13 ' HD1' ' A' ' 67' ' ' TYR . 19.7 mm -122.73 131.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -110.78 124.38 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.65 129.37 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.87 140.53 46.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 6.4 p -150.41 128.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.61 150.99 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -102.16 157.95 16.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.757 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.1 mt -69.77 -23.79 63.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.05 127.16 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -69.98 162.69 27.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.06 18.93 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -89.65 138.91 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.96 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 23.9 m-85 -133.22 154.24 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -127.23 -1.87 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.32 17.44 22.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 8' ' ' ILE . 55.8 mt -92.01 3.98 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.19 14.56 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 1.2 mt -129.88 101.21 18.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.615 ' O ' HD13 ' A' ' 97' ' ' LEU . 53.5 Cg_endo -69.7 -5.68 16.76 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 p -95.72 -29.7 14.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 1.6 mptm? -75.56 -38.02 59.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 8' ' ' ILE . 10.3 mt -69.44 -46.42 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.615 HD13 ' O ' ' A' ' 93' ' ' PRO . 7.0 mp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.626 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.572 0.701 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 154.55 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -171.43 131.86 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -124.92 142.68 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.719 HG21 HD22 ' A' ' 90' ' ' LEU . 11.3 mt -111.57 143.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -127.51 146.68 50.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.31 144.56 43.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.42 175.98 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.02 13.62 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -137.21 -41.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -158.05 -177.3 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.01 141.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -123.79 101.86 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.712 HD13 HG12 ' A' ' 8' ' ' ILE . 4.3 tp -98.61 124.42 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -109.91 140.01 44.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.69 143.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.69 132.39 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -174.65 68.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -70.11 134.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.51 153.69 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -113.71 129.98 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -73.91 -174.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.56 -35.17 39.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -139.22 -51.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.1 ptm -75.24 167.82 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.647 HD11 HG11 ' A' ' 78' ' ' VAL . 38.0 mt -112.0 136.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.589 HG23 ' OH ' ' A' ' 48' ' ' TYR . 45.4 mm -107.85 120.09 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -97.86 108.01 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.56 -18.87 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.58 155.13 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.85 166.85 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.2 Cg_endo -69.82 -4.51 14.21 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -109.36 129.35 55.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.589 ' OH ' HG23 ' A' ' 41' ' ' ILE . 69.2 t80 -93.84 134.16 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -128.55 142.96 50.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.54 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.7 tpp180 -123.05 114.69 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 17' ' ' LEU . 57.1 mt -104.5 124.28 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -116.34 102.95 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.7 m-30 -92.76 155.87 41.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.75 -8.0 22.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -116.85 -171.54 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 124.68 41.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -101.08 177.57 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 tt -137.72 141.48 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -99.75 109.44 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -119.61 -167.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.17 -22.59 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -29.98 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 p -67.2 132.51 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -175.79 165.15 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.65 143.18 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -122.57 135.61 54.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.501 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.87 127.03 35.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.88 117.93 35.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -86.36 -36.05 19.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -30.15 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -121.08 -5.34 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.14 26.67 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.52 170.96 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.501 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -118.62 133.8 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -108.63 124.2 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.51 124.98 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -111.88 140.02 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 40' ' ' ILE . 3.2 p -151.89 128.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.0 149.42 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.811 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -105.45 147.21 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.3 mt -53.31 -45.15 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.45 144.54 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -81.53 160.89 23.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.86 17.25 8.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.37 133.16 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -107.66 171.08 7.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 15' ' ' ILE . 43.8 m-85 -137.14 165.54 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.53 -37.28 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.719 HD22 HG21 ' A' ' 8' ' ' ILE . 35.6 mt -60.18 -17.67 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.606 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.1 t0 -93.67 10.19 33.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 91' ' ' ASP . 3.0 mt -143.0 103.53 5.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.2 p -93.51 -29.37 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 92' ' ' LEU . 9.5 mmtp -70.42 -35.65 73.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD13 HD22 ' A' ' 51' ' ' LEU . 4.7 mt -71.65 -45.84 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.614 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.581 0.705 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -158.2 147.64 19.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -165.56 135.21 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -124.72 144.17 50.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.66 HG21 HD22 ' A' ' 90' ' ' LEU . 7.6 mt -111.41 142.5 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -127.97 146.55 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.702 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.87 144.67 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.53 177.51 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.54 17.49 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 -41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -155.89 -178.06 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.735 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.0 mm -105.75 141.07 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -121.94 100.34 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 8' ' ' ILE . 8.3 tp -97.83 124.56 42.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -110.0 139.27 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -126.7 127.11 69.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -90.16 129.67 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.74 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.3 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.728 0.299 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -175.12 80.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -74.77 132.15 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 141.46 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.43 129.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.14 -171.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.15 -34.87 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -140.22 -51.11 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.76 171.15 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 53.7 mt -116.92 135.88 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.3 mm -107.46 120.14 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -96.67 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -103.88 -18.86 14.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.74 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.91 153.12 5.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.08 166.88 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.74 -4.82 14.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -108.89 128.96 55.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.1 t80 -94.49 132.89 38.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.79 143.3 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.523 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.4 ttp180 -122.4 116.3 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.578 ' CD1' HD22 ' A' ' 17' ' ' LEU . 51.1 mt -105.78 121.49 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -115.61 103.15 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.2 m-85 -95.59 155.02 39.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.72 -7.94 22.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -111.33 -172.91 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.0 pt-20 -126.3 120.17 29.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.5 mt -99.99 175.77 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.7 tt -137.28 144.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.51 95.13 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.07 -167.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.06 -28.72 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -67.73 -32.26 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -51.63 132.5 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.7 t -179.61 164.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.4 142.82 50.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -121.81 133.14 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.54 126.57 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.15 121.06 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -85.57 -38.04 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -30.12 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -122.47 -5.49 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 59.81 25.79 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.56 159.65 17.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.4 mm -106.71 134.17 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.77 123.29 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -116.74 125.0 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 140.58 46.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 40' ' ' ILE . 3.5 p -146.6 131.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.71 147.23 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.539 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.1 mmmt -101.31 155.93 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.2 mt -71.16 -27.8 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.47 129.83 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -75.18 161.59 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.15 17.16 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -93.07 137.3 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -113.37 -178.6 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE1' HD11 ' A' ' 15' ' ' ILE . 24.0 m-85 -133.19 153.51 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 17.06 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.89 -28.53 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 8' ' ' ILE . 40.0 mt -58.89 -21.29 57.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.617 ' C ' HD13 ' A' ' 92' ' ' LEU . 16.0 t0 -62.91 -27.17 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.618 HD23 ' HG3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -114.8 118.52 40.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.622 ' O ' HD23 ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.73 -7.45 21.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.9 p -93.61 -36.18 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.618 ' HG3' HD23 ' A' ' 92' ' ' LEU . 4.3 mmtt -51.21 -35.39 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -73.59 -42.91 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.951 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.98 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 153.52 31.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -167.36 140.78 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.46 140.09 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -111.08 142.1 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 m -129.03 146.03 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.675 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -112.86 144.16 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.03 176.94 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -91.99 17.33 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -143.39 -41.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -155.05 -179.48 8.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.6 mm -103.67 141.52 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -119.0 98.99 6.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -95.36 122.81 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 24.2 ttpt -109.9 143.28 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -126.65 133.66 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -99.97 119.88 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.0 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.7 mp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -174.91 72.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 HD12 ' A' ' 44' ' ' LEU . 81.0 mt -79.27 131.84 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.41 154.89 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 78' ' ' VAL . 2.7 mp -112.8 131.59 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.44 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.5 OUTLIER -76.01 -171.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.0 -37.06 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -138.31 -50.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.44 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.3 ptm -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 37.2 mt -115.98 138.45 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.572 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.5 mm -107.91 120.5 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -100.13 101.86 13.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.99 -17.56 18.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -52.14 156.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.29 166.04 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.75 129.1 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' OH ' HG23 ' A' ' 41' ' ' ILE . 49.4 t80 -93.05 130.0 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.951 HD22 HG21 ' A' ' 3' ' ' THR . 41.6 tp -128.7 147.04 50.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.75 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.512 HD22 HD13 ' A' ' 96' ' ' LEU . 71.5 mt -119.81 113.46 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 14.7 tpt180 -108.91 105.15 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.597 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -95.53 156.23 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.77 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -113.34 -173.06 2.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.77 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.6 pt-20 -125.41 120.26 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 40' ' ' ILE . 2.2 mt -100.79 173.83 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -135.33 144.72 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.58 106.32 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.8 -167.07 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.73 -34.58 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -61.98 -37.91 86.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 p -51.88 132.08 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -178.84 166.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.7 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -122.72 145.85 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -88.03 126.68 35.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.57 118.14 36.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.19 -25.94 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -31.95 64.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.08 3.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 59.89 31.25 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.5 m -110.79 172.35 6.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.6 mm -120.68 132.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -110.31 122.24 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.28 125.32 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.32 140.91 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 HD11 ' A' ' 40' ' ' ILE . 4.7 p -144.25 130.04 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -71.37 146.36 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 161.74 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 56' ' ' GLU . 48.6 mt -72.97 -43.05 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.26 119.69 35.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -64.66 161.57 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.86 17.24 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.41 127.24 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -104.95 179.36 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -131.82 148.59 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -123.26 16.97 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.416 ' HB2' ' HD3' ' A' ' 54' ' ' PRO . 61.6 m-20 -117.95 -14.8 10.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 8' ' ' ILE . 44.2 mt -66.66 -12.87 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.75 -23.71 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -106.71 108.66 62.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.11 22.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 p -95.86 -29.1 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.24 -24.22 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.654 HD13 HD11 ' A' ' 8' ' ' ILE . 3.1 mt -82.94 -47.01 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.838 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.5 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 154.13 34.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 97' ' ' LEU . 45.3 p90 -167.88 130.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 142.09 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.757 HG12 HD13 ' A' ' 17' ' ' LEU . 11.2 mt -111.98 143.74 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -126.63 155.84 41.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HG3' HD12 ' A' ' 90' ' ' LEU . 4.0 mp0 -113.33 144.52 42.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.6 177.14 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.66 27.04 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -154.61 -40.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -157.02 -175.95 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.73 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.3 mm -103.02 141.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.74 97.9 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 8' ' ' ILE . 1.6 tp -97.03 124.4 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.525 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.6 ptpt -109.13 137.9 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.36 128.77 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.41 129.37 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.3 mt . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -173.75 83.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.72 131.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.65 155.84 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 40' ' ' ILE . 3.0 mp -117.33 129.33 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -72.02 -168.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -51.95 -35.57 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -141.72 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.4 ptm -73.58 170.61 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 78' ' ' VAL . 56.4 mt -116.26 137.15 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.7 mm -109.48 120.15 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -96.95 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.48 -18.92 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.54 153.19 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.76 166.88 0.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.853 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.76 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -108.57 129.05 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.445 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.4 t80 -94.87 132.52 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -129.32 143.37 50.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' H ' HD23 ' A' ' 49' ' ' LEU . 14.1 ttp180 -125.72 116.67 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.573 ' CD1' HD22 ' A' ' 17' ' ' LEU . 26.9 mt -108.74 134.52 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.45 106.6 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.635 ' CD2' HD11 ' A' ' 57' ' ' LEU . 5.9 m-30 -95.54 156.97 36.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.672 0.749 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.8 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.85 -171.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.1 pm0 -125.6 122.47 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 40' ' ' ILE . 2.4 mt -102.96 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 tt -139.29 142.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.23 102.62 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.97 -167.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -28.28 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -65.75 -30.49 71.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 p -51.09 131.48 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -178.95 166.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.95 143.28 42.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -122.02 132.8 54.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.8 127.47 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.41 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 p -87.35 -33.74 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -30.62 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -129.32 4.61 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 51.81 30.74 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.63 156.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.26 133.45 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -109.13 121.91 46.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 t -118.12 129.73 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.96 139.1 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 40' ' ' ILE . 41.4 t -138.66 125.98 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.84 134.31 39.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -92.74 167.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 56' ' ' GLU . 60.8 mt -76.93 -33.15 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.98 126.2 39.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -65.17 164.61 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.71 20.64 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -86.38 144.98 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -122.46 173.82 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD11 ' A' ' 15' ' ' ILE . 39.7 m-85 -136.32 169.19 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -131.37 -42.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 -21.32 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 10' ' ' GLN . 24.0 mt -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 92' ' ' LEU . 59.0 m-20 -89.96 10.96 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.8 mt -140.74 104.02 6.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.5 Cg_endo -69.78 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.8 p -97.99 -8.66 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE2' HD13 ' A' ' 92' ' ' LEU . 13.0 mptt -95.96 -37.17 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.623 HD22 ' CE1' ' A' ' 53' ' ' PHE . 7.8 mt -68.46 -45.36 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 6' ' ' PHE . 95.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.793 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.587 0.708 . . . . 0.0 111.165 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.88 153.47 26.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -170.6 136.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.72 145.43 49.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.778 HG12 HD23 ' A' ' 17' ' ' LEU . 2.0 mt -112.54 143.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -127.78 145.32 50.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.677 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -110.11 144.54 38.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.54 171.73 13.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.45 6.56 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.01 -36.11 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.1 -174.02 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.3 mm -104.48 141.16 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -123.36 100.63 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.778 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -98.98 122.83 42.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.683 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.3 ptpt -109.99 139.84 44.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.0 mp -121.6 130.46 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -92.49 124.53 36.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.2 pt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.51 65.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -66.68 132.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -125.37 151.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -111.46 131.7 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -76.59 -171.26 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.3 -35.3 50.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.45 -50.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.9 ptm -75.52 171.67 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 84.0 mt -119.65 139.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -108.36 119.94 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -97.57 100.33 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -98.42 -18.71 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -50.85 153.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.468 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER 63.79 166.77 0.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.664 0.745 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.74 -4.86 14.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.28 128.73 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 41' ' ' ILE . 35.8 t80 -94.47 129.5 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.793 HD22 HG21 ' A' ' 3' ' ' THR . 55.5 tp -128.48 145.52 51.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.0 130.95 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 96' ' ' LEU . 83.3 mt -118.25 115.68 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 104.36 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 96' ' ' LEU . 15.9 m-30 -95.03 155.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.8 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' ' HZ1' ' A' ' 80' ' ' LYS . 90.3 m-70 -114.26 -172.15 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.722 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.5 pt-20 -126.83 122.9 36.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.1 mt -99.34 177.85 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 tt -135.74 140.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -99.72 98.35 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -107.15 -169.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.4 -26.01 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -70.51 -35.04 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.13 132.07 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -179.92 166.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.49 142.78 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.57 133.47 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.496 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.74 126.83 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 118.32 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -31.8 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -32.8 50.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -125.35 -1.32 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 26.59 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.54 161.04 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 44' ' ' LEU . 21.2 mm -110.28 133.41 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -110.3 123.53 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.39 124.81 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 140.61 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.696 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -147.34 130.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 60' ' ' ASP . . . -75.22 144.84 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.592 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.4 tmtt? -100.29 147.07 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' A' ' 56' ' ' GLU . 54.1 mt -51.98 -30.59 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.87 136.33 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -76.49 161.96 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.97 19.39 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.42 140.09 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -118.51 -175.27 2.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 31.6 m-85 -135.09 156.04 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.79 9.39 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.28 -14.49 9.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 87' ' ' PHE . 8.0 mp -64.26 -15.05 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.529 ' C ' HD13 ' A' ' 92' ' ' LEU . 8.3 m-20 -77.37 -25.17 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -110.86 117.43 50.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.693 . . . . 0.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.53 10.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 p -65.74 -35.5 80.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.54 -20.4 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.71 HD13 HD11 ' A' ' 8' ' ' ILE . 3.2 mt -87.38 -43.99 11.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.669 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.566 0.698 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -157.22 141.02 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -156.63 133.7 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -124.97 143.14 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.686 HG12 HD23 ' A' ' 17' ' ' LEU . 1.6 mt -112.15 142.48 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.09 146.47 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -112.43 144.37 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.77 177.47 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.49 16.36 12.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -143.01 -40.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -155.62 -177.26 6.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.4 mm -104.92 141.19 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -119.73 95.39 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -97.26 122.97 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.9 ptpt -109.81 141.45 42.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -125.18 116.39 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.7 123.86 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -173.93 82.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 HD12 ' A' ' 44' ' ' LEU . 66.5 mt -77.33 131.95 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.32 140.2 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.23 129.36 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -72.68 -169.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.38 -36.63 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -137.05 -49.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.417 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -76.64 172.67 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.844 HD11 HD13 ' A' ' 57' ' ' LEU . 93.0 mt -120.33 136.38 57.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.9 mm -108.16 120.3 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -97.89 102.12 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.68 -18.99 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.751 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.04 156.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.23 166.38 0.11 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -5.34 15.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -110.84 128.92 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.1 t80 -94.31 129.34 41.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 3' ' ' THR . 50.2 tp -128.61 146.03 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 132.75 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -121.85 122.43 39.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -116.27 108.06 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.642 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.1 m-30 -96.04 156.04 37.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.77 -7.29 20.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -115.56 -172.14 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.597 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -123.33 123.0 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.844 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -102.33 -175.4 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.96 144.73 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.86 106.23 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.35 -166.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.56 -33.42 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.48 -36.1 82.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 p -56.71 132.18 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 t -173.12 158.94 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.6 143.38 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.36 132.15 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.38 126.82 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -107.24 113.66 27.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -83.56 -32.99 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -24.52 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.41 3.35 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 52.01 29.6 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.5 t -111.46 155.11 23.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -109.96 132.78 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -110.12 123.66 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 125.28 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -104.99 140.05 38.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.763 HG21 HD13 ' A' ' 40' ' ' ILE . 21.4 t -141.03 126.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -77.22 134.39 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.58 155.6 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.597 HD12 ' CG ' ' A' ' 56' ' ' GLU . 58.5 mt -68.7 -46.33 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -114.53 127.33 55.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.38 161.01 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.47 16.78 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.08 126.21 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -104.0 179.24 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.1 m-85 -134.58 155.87 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -127.18 14.9 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.73 -19.61 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 10' ' ' GLN . 29.3 mt -64.06 -15.62 59.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 92' ' ' LEU . 14.3 t0 -90.98 14.11 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.487 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.9 mt -138.5 106.51 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.99 17.56 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.32 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.8 p -93.62 -34.79 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -57.16 -56.97 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -53.65 -49.11 68.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.637 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.2 t . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.57 0.7 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.02 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.92 159.72 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -173.05 131.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.4 m -124.6 142.47 51.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.653 HG12 HD13 ' A' ' 17' ' ' LEU . 7.4 mt -111.12 142.96 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -127.66 145.94 50.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 8.8 mp0 -106.99 144.25 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.13 176.01 7.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -92.38 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.91 -39.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -157.43 -175.39 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm -106.54 141.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -121.2 104.08 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.653 HD13 HG12 ' A' ' 8' ' ' ILE . 7.2 tp -99.61 124.48 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -110.03 137.93 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.25 133.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.23 128.85 38.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 44' ' ' LEU . 2.9 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -174.46 79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.72 131.99 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.44 140.32 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.18 130.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -75.99 -173.26 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.04 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -140.05 -52.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.45 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.29 170.05 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 57' ' ' LEU . 59.2 mt -116.48 135.74 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.3 mm -107.85 120.44 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -96.62 107.18 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -106.57 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 45' ' ' SER . 1.2 tt -55.8 154.54 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.544 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 63.68 166.85 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.8 -4.87 14.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -110.45 129.07 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 63.2 t80 -94.56 133.8 37.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -129.19 143.17 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -122.71 115.71 22.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 17' ' ' LEU . 53.4 mt -105.3 127.5 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -120.78 103.42 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.9 m-85 -94.36 155.76 39.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.71 -7.22 20.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -117.37 -171.95 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.689 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.2 pt-20 -125.46 125.35 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -101.24 179.7 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -138.13 142.56 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.14 100.98 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.63 -167.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -71.0 -24.84 62.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 p -63.91 131.95 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -178.25 163.24 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.72 142.75 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -123.06 131.19 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.426 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.5 t80 -89.15 129.4 35.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.05 122.99 48.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.2 p -86.83 -40.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -26.73 33.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -115.75 -14.75 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.76 25.8 14.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 173.24 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.426 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.7 mm -122.35 132.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -109.81 124.45 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.01 125.56 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.32 140.53 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -155.82 124.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.0 152.73 32.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.46 168.64 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.689 HD12 ' HG3' ' A' ' 56' ' ' GLU . 70.6 mt -74.73 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.6 142.65 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.16 159.09 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.58 18.06 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -94.12 148.62 22.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -129.46 -170.67 2.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 33.2 m-85 -135.13 155.27 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -118.27 -8.46 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -97.24 -25.56 15.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 87' ' ' PHE . 7.4 mp -59.04 -19.87 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.6 m-20 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -114.56 111.41 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.8 p -95.3 -22.79 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -75.05 -26.52 59.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 53' ' ' PHE . 6.0 mt -78.65 -50.41 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 1.028 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 121.612 0.72 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.04 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -153.5 151.74 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -166.88 141.76 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.84 140.17 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 17' ' ' LEU . 3.3 mt -110.94 142.08 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.5 145.73 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.6 pt20 -114.78 143.85 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.13 172.08 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.15 9.0 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.25 -38.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -163.13 -176.62 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.4 mm -105.85 141.67 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -120.48 100.49 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 8' ' ' ILE . 2.0 tm? -96.16 122.9 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.569 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.2 ttpt -110.16 142.29 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -127.75 132.71 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -94.19 113.23 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.418 HD11 HG12 ' A' ' 74' ' ' ILE . 4.3 pt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.739 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -176.24 88.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.496 HG13 HD12 ' A' ' 44' ' ' LEU . 61.6 mt -95.36 131.69 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.6 155.83 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.45 130.2 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -76.69 -169.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -52.42 -36.44 54.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -140.0 -49.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.412 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 3.6 ptm -76.56 175.91 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.841 HD11 HD13 ' A' ' 57' ' ' LEU . 69.6 mt -124.01 138.63 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.32 120.72 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -98.88 105.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -102.32 -18.1 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.739 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.74 156.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 60.63 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.74 -5.62 16.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -109.22 129.23 55.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 39.9 t80 -94.29 129.95 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.028 HD22 HG21 ' A' ' 3' ' ' THR . 40.5 tp -128.96 148.64 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -124.15 130.92 53.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -117.24 115.65 25.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG3' ' HE3' ' A' ' 39' ' ' MET . 0.1 OUTLIER -110.96 104.96 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.2 m-85 -96.52 155.36 37.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -110.76 -172.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.5 pt-20 -127.61 118.56 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -97.46 176.99 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -138.31 142.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.56 105.37 17.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.76 -165.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.82 -33.98 75.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.579 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.94 -36.39 83.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 133.68 52.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -178.33 170.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.69 142.81 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -122.01 132.79 54.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' HD1' HD13 ' A' ' 74' ' ' ILE . 7.0 t80 -86.98 130.74 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.45 123.22 48.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -32.3 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.21 33.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -133.15 5.41 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 51.73 32.18 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.19 162.38 14.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.43 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.3 mm -112.96 132.11 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.97 122.74 48.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.28 123.59 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 140.0 48.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -142.34 135.91 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -75.12 144.6 42.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CD ' HD23 ' A' ' 57' ' ' LEU . 27.5 tptp -101.08 146.55 27.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.759 HD12 ' HG3' ' A' ' 56' ' ' GLU . 42.0 mt -56.74 -44.28 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -119.5 126.28 50.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.8 162.44 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.2 18.42 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.18 131.98 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -109.83 177.44 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 28.8 m-85 -134.12 146.08 49.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -118.15 13.93 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.48 -18.82 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 87' ' ' PHE . 10.2 mp -64.7 -19.59 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.56 ' C ' HD13 ' A' ' 92' ' ' LEU . 4.8 t70 -69.94 -18.62 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -117.04 111.06 40.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 0.0 110.94 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.2 p -94.29 -21.97 18.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 92' ' ' LEU . 82.7 mttt -67.01 -27.33 67.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.506 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.2 mm? -79.07 -47.54 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 49' ' ' LEU . 24.1 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.61 0.719 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -153.17 154.32 34.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -169.49 137.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -124.04 138.83 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 51' ' ' LEU . 8.7 mt -111.15 142.19 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -128.28 147.3 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.704 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -114.5 143.72 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.04 172.92 11.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -89.6 11.91 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.64 -38.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -161.75 -178.14 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.6 mm -106.25 141.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -120.79 100.53 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 51' ' ' LEU . 7.6 tp -93.66 123.41 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -110.06 137.54 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 21' ' ' ILE . 2.9 mp -125.99 131.65 71.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -94.06 104.3 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 19' ' ' ILE . 1.3 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD12 ' CD2' ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -158.52 81.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.553 HG13 HD12 ' A' ' 44' ' ' LEU . 64.0 mt -76.75 132.15 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.71 144.65 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -105.26 131.86 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.449 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -75.59 -170.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.31 -36.56 63.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -137.08 -50.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.449 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.2 ptm -76.58 172.19 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 66.8 mt -119.63 137.32 53.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.0 mm -108.3 120.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.91 103.02 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -99.65 -18.46 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.87 153.91 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 64.46 166.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.79 -5.14 15.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.97 128.74 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.561 ' OH ' HG23 ' A' ' 41' ' ' ILE . 41.3 t80 -92.98 129.91 38.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.2 tm? -128.64 143.16 50.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.716 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.6 ttt180 -119.36 133.08 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 17' ' ' LEU . 97.3 mt -121.7 116.48 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.5 m-85 -96.24 156.08 37.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.37 -172.57 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.693 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.4 pm0 -125.19 123.88 40.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -103.19 177.87 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.1 tt -139.85 144.21 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.48 99.07 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.86 -167.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -68.58 -28.71 67.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -32.71 72.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -60.54 133.28 55.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.18 161.94 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.72 143.2 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -121.93 131.75 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.5 t80 -87.29 126.97 35.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -101.42 120.2 39.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -85.81 -49.43 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -21.97 18.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -116.61 -12.24 10.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 58.31 24.39 11.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.9 p -112.35 164.92 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.434 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -115.13 132.51 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.17 124.56 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 t -115.83 125.53 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 141.17 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 40' ' ' ILE . 4.0 p -154.14 131.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.08 151.94 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -177.35 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD12 ' CG ' ' A' ' 56' ' ' GLU . 68.3 mt -96.52 -27.72 14.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.74 112.32 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -58.87 162.67 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 20.83 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -99.8 132.42 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -108.19 176.22 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.793 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.5 m-85 -130.37 154.85 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -115.3 -39.63 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.05 -25.03 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 87' ' ' PHE . 9.8 mp -59.93 -25.02 64.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.572 ' C ' HD13 ' A' ' 92' ' ' LEU . 19.1 t0 -67.58 -27.22 66.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.762 HD23 ' HE2' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -114.78 117.89 41.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -93.13 -22.69 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.762 ' HE2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -65.75 -25.22 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -86.29 -40.77 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 49' ' ' LEU . 79.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -49.09 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.14 152.81 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.37 144.18 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.93 139.79 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 HD13 ' A' ' 90' ' ' LEU . 4.4 mt -110.87 141.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -129.51 145.66 51.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.693 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.17 144.34 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.52 176.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -92.4 19.59 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -145.09 -41.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -155.12 -178.6 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.693 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.8 mm -105.88 141.99 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.46 100.7 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.676 HD23 HG12 ' A' ' 8' ' ' ILE . 1.7 tm? -96.89 123.17 40.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' N ' HD22 ' A' ' 17' ' ' LEU . 30.7 ttpt -109.8 142.9 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.8 mp -126.92 128.03 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.11 115.77 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.9 pt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -177.47 82.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.434 HG13 HD12 ' A' ' 44' ' ' LEU . 83.8 mt -86.45 132.65 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -125.37 155.42 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.62 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -114.45 128.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 21.3 mm100 -74.55 -173.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.41 -36.24 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.78 -51.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.12 170.07 16.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 56.7 mt -119.54 138.26 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.532 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.59 119.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -98.43 104.6 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -100.59 -18.95 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.434 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.71 158.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 60.96 165.92 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.77 -5.31 15.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.23 . . . . 0.0 112.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -111.43 129.32 56.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.532 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.8 t80 -92.84 130.11 38.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.7 tm? -129.14 143.26 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.754 ' N ' HD13 ' A' ' 49' ' ' LEU . 22.9 ttp180 -122.71 129.28 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.6 mt -117.33 128.45 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 6.9 tpt180 -120.5 106.56 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.604 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -96.43 156.56 36.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.4 Cg_endo -69.78 -6.51 18.79 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -113.53 -171.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.791 ' HG3' HD12 ' A' ' 81' ' ' LEU . 7.9 pt-20 -128.01 122.09 31.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.76 -176.16 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 tt -147.14 144.27 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -104.09 107.43 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.46 -166.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.96 -36.44 83.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -32.06 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -51.1 132.92 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -178.13 166.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.17 143.06 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -121.97 133.42 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.8 t80 -86.38 126.69 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.95 121.62 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -86.39 -36.85 18.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -30.44 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -124.54 -3.09 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 57.96 27.45 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.0 p -111.67 156.29 22.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 29.4 mm -103.59 134.14 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -108.91 122.32 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.1 t -117.2 124.99 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 140.61 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 40' ' ' ILE . 4.2 p -142.16 132.46 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.26 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.28 144.35 27.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 56' ' ' GLU . 31.5 mt -55.76 -35.06 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -130.61 136.47 48.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -72.3 161.87 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.03 21.51 11.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 135.97 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -121.96 -174.98 3.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.669 ' CE1' HD11 ' A' ' 15' ' ' ILE . 25.2 m-85 -133.96 161.4 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.19 9.03 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.403 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 6.3 p-10 -109.62 -30.2 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 8' ' ' ILE . 16.8 mt -52.32 -26.66 12.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.657 ' C ' HD13 ' A' ' 92' ' ' LEU . 10.5 m-20 -57.49 -24.19 54.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -118.06 119.61 33.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.591 ' O ' HD23 ' A' ' 97' ' ' LEU . 54.2 Cg_endo -69.74 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.6 p -94.24 -28.81 15.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.567 ' HG3' HD23 ' A' ' 92' ' ' LEU . 13.6 mmtm -56.78 -23.51 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.493 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -90.05 -43.53 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.807 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.59 0.71 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -160.19 161.8 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -171.68 147.46 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.13 139.0 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 HD22 ' A' ' 90' ' ' LEU . 11.8 mt -111.15 142.71 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -128.27 146.63 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.3 mp0 -111.0 144.21 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 168.4 18.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -86.79 7.61 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 -34.21 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -168.87 -174.49 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.9 mm -106.16 142.69 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -124.55 99.9 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 8' ' ' ILE . 6.8 tp -94.39 123.78 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -110.1 136.39 49.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.15 145.0 30.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.67 131.92 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 pt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 44' ' ' LEU . 3.9 mt . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.841 0.353 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.22 82.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -79.75 131.38 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.15 152.73 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.504 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.18 129.1 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -170.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -51.81 -33.93 37.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -142.69 -50.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE3' ' HG2' ' A' ' 52' ' ' ARG . 3.0 ptm -74.64 173.5 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -119.44 136.37 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.486 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -108.26 120.7 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -98.39 106.24 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -104.86 -18.4 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -54.26 156.92 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.549 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.3 166.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.77 -5.58 16.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.78 128.51 56.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.486 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.0 t80 -94.64 131.61 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.807 HD22 HG21 ' A' ' 3' ' ' THR . 23.6 tp -129.13 146.68 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.11 125.31 46.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 17' ' ' LEU . 83.8 mt -113.68 125.42 54.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' HE3' ' A' ' 39' ' ' MET . 3.2 tmt_? -118.19 106.24 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.638 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.9 m-30 -95.61 155.67 38.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -109.95 -172.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.5 pt-20 -125.22 121.19 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -100.02 -178.92 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -141.26 144.86 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.14 103.57 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -167.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -25.01 67.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -71.87 -35.27 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.88 131.67 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 62' ' ' ARG . 9.9 t -179.8 167.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.65 142.77 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -121.9 132.1 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.482 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.68 126.93 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -105.75 121.89 44.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -86.78 -34.03 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -31.68 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -125.44 -0.23 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.81 28.49 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.54 156.84 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.482 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.7 mm -105.22 134.1 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.78 121.91 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.69 127.06 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.23 140.23 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 40' ' ' ILE . 21.9 t -140.03 133.24 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -79.9 133.31 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.524 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.54 150.94 22.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 56' ' ' GLU . 37.0 mt -67.36 -27.35 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -137.04 129.31 29.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.99 162.81 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.11 20.55 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.64 127.78 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -108.62 174.36 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 20.8 m-85 -133.15 169.26 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -129.27 -38.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.6 -20.85 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.698 HD22 HG21 ' A' ' 8' ' ' ILE . 18.2 mt -62.33 -16.22 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' HD23 ' A' ' 92' ' ' LEU . 6.5 m-20 -89.97 13.59 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.6 mt -141.56 102.58 5.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -6.31 18.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.9 p -98.1 -7.23 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -87.25 -36.0 18.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.5 mm? -74.06 -34.47 64.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.606 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 146.37 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -162.6 133.26 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.62 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.756 HG12 HD23 ' A' ' 17' ' ' LEU . 2.4 mt -112.33 143.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 m -127.88 145.91 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.673 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.01 144.46 43.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.87 172.43 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -87.92 8.41 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.64 -36.67 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -166.89 -179.12 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.9 mm -100.29 141.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -123.22 96.96 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.756 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -97.64 123.47 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.1 ptpt -109.77 138.5 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.937 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.3 mp -119.65 119.5 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.28 99.76 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.777 0.323 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -165.97 68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.47 131.98 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.97 153.9 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.81 129.63 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.0 mm-40 -73.27 -172.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.29 -37.33 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -139.36 -49.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.2 ptm -74.9 167.96 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 57' ' ' LEU . 60.1 mt -110.42 136.85 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.59 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.9 mm -108.33 119.73 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -100.05 105.59 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -20.49 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -51.52 154.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 61.12 167.01 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.695 0.759 . . . . 0.0 110.832 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.71 -5.72 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.84 128.58 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' HG23 ' A' ' 41' ' ' ILE . 60.2 t80 -94.07 133.82 37.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.7 OUTLIER -126.16 142.83 51.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' H ' HD23 ' A' ' 49' ' ' LEU . 3.7 tpp85 -123.42 113.42 18.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 8' ' ' ILE . 75.1 mt -105.38 122.33 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -114.65 105.62 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' A' ' 96' ' ' LEU . 12.9 m-30 -96.16 155.54 38.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.69 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -113.96 -172.75 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 81' ' ' LEU . 9.0 pt-20 -123.45 121.67 36.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 40' ' ' ILE . 3.8 mt -100.09 176.73 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -140.86 144.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -103.93 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.22 -167.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.96 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.49 133.0 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -172.23 162.1 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 143.14 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.67 131.23 53.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.6 t80 -88.47 126.99 35.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -101.59 121.63 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.4 t -87.44 -44.51 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -19.63 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -123.69 -5.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 52.44 28.43 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.9 t -112.84 155.51 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.424 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.9 mm -109.78 131.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -111.31 124.3 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.53 125.96 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.75 140.6 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 47.2 t -144.67 128.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.0 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -93.69 141.96 27.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' HG3' ' A' ' 56' ' ' GLU . 52.9 mt -51.63 -30.75 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.01 125.36 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -67.85 163.0 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.09 19.71 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.19 131.9 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -109.81 -177.38 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -132.78 160.67 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 14.57 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.33 -17.98 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.35 -13.54 58.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.431 ' O ' HD13 ' A' ' 92' ' ' LEU . 31.8 m-20 -82.07 -9.96 59.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' HD2' ' A' ' 95' ' ' LYS . 1.4 mm? -116.88 107.57 45.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.34 20.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.9 p -100.44 -29.94 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.639 ' HD2' HD23 ' A' ' 92' ' ' LEU . 84.7 mttt -66.09 -24.74 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 8' ' ' ILE . 1.5 mt -84.85 -44.03 13.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.787 HG21 HD22 ' A' ' 49' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -159.07 148.52 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -163.88 138.55 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -124.12 144.03 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.751 HG12 HD23 ' A' ' 17' ' ' LEU . 2.3 mt -112.25 142.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.29 145.96 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.709 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -113.35 144.79 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.05 174.61 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.46 8.29 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.99 -37.45 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -164.8 -175.3 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 10' ' ' GLN . 6.3 mm -105.09 141.32 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -123.66 101.53 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD23 HG12 ' A' ' 8' ' ' ILE . 1.2 tm? -99.54 123.63 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.666 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.0 ptpt -109.99 141.41 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -123.73 128.58 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -90.82 118.93 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.773 0.321 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -165.97 85.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' ILE . 86.3 mt -90.59 130.79 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.42 152.89 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.589 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -106.21 130.34 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.16 -172.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.07 -35.14 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -140.96 -51.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptm -75.52 173.88 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 57' ' ' LEU . 36.2 mt -119.66 138.41 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.575 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.74 119.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -98.62 103.93 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -101.42 -18.07 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.768 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.87 152.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 61.75 167.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.79 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -108.97 128.54 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.3 t80 -95.39 129.81 42.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.787 HD22 HG21 ' A' ' 3' ' ' THR . 44.6 tp -128.66 147.98 50.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -121.84 130.82 53.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 96' ' ' LEU . 56.5 mt -116.84 110.53 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -105.3 104.75 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.3 m-30 -96.12 155.22 38.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -113.97 -174.08 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.745 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -124.75 118.18 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 1.8 mt -95.15 -175.32 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.3 tt -144.1 143.18 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 103.35 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -167.46 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.54 -32.0 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.97 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.9 m -64.29 132.0 48.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 t -178.49 163.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.61 142.01 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -123.46 149.51 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.2 t80 -87.92 127.35 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.31 118.24 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -87.75 -32.48 19.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -28.82 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.31 6.7 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.31 28.63 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 p -109.07 168.33 9.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.449 HD13 ' HD1' ' A' ' 67' ' ' TYR . 21.4 mm -115.96 132.57 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.46 125.01 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -114.39 125.96 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 140.35 45.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 3.1 p -149.57 127.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.76 149.22 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 57' ' ' LEU . 5.6 tptm -107.41 140.61 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' A' ' 56' ' ' GLU . 51.6 mt -51.69 -48.0 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -110.6 118.69 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -66.32 158.59 28.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.29 16.26 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -92.05 139.12 30.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -113.68 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CE1' HD11 ' A' ' 15' ' ' ILE . 26.6 m-85 -134.08 161.12 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.52 10.46 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.06 -26.27 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 8' ' ' ILE . 80.2 mt -57.32 -23.74 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.54 ' C ' HD13 ' A' ' 92' ' ' LEU . 77.6 m-20 -65.33 -22.73 66.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -114.83 113.71 44.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.643 0.735 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -9.25 25.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.4 p -92.85 -18.06 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -71.31 -22.15 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.489 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.2 mm? -85.57 -48.57 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' HD11 ' A' ' 49' ' ' LEU . 11.4 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.809 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 53.9 Cg_endo -69.78 -81.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.284 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 3.2 mpt_? -138.39 148.76 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -162.04 145.35 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.44 140.11 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 90' ' ' LEU . 9.8 mt -108.51 141.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -129.1 147.21 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.721 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -116.89 144.13 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -128.02 178.86 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.33 29.04 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -155.14 -40.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.96 178.61 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.7 mm -106.43 141.95 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.6 106.32 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.9 tp -97.85 124.99 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 134.19 52.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.03 132.63 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -97.07 134.64 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -175.17 67.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.426 HG13 HD12 ' A' ' 44' ' ' LEU . 78.9 mt -70.99 132.48 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.73 155.73 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.584 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -114.81 132.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 1.1 mm-40 -76.58 -172.37 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -37.18 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -137.68 -51.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -75.31 171.5 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 57' ' ' LEU . 91.1 mt -118.2 138.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.95 120.37 59.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -98.85 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -102.71 -18.86 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD12 HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -51.13 154.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.37 166.42 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.81 -4.97 15.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.37 128.75 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -93.25 131.31 38.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.809 HD22 HG21 ' A' ' 3' ' ' THR . 53.3 tp -129.13 148.49 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -122.65 130.21 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.599 ' CD1' HD22 ' A' ' 17' ' ' LEU . 71.5 mt -116.66 114.67 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 103.89 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.9 m-30 -95.78 155.06 38.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.75 -8.03 22.55 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -112.91 -173.24 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -124.28 124.32 42.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 40' ' ' ILE . 4.0 mt -106.36 173.09 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.1 tt -136.02 144.4 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.43 105.59 17.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 -168.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -68.53 -25.51 64.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -28.86 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -66.4 132.45 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -179.17 161.12 1.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.03 148.54 45.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -87.55 127.25 35.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.22 114.41 28.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -85.0 -30.38 24.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.82 54.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.83 6.02 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 53.66 26.99 6.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.87 168.97 8.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.438 HD13 ' HD1' ' A' ' 67' ' ' TYR . 21.6 mm -117.21 132.85 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -109.84 124.5 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 t -114.46 125.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.27 139.23 46.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 40' ' ' ILE . 4.1 p -148.76 135.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.75 147.55 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 172.02 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.9 mt -86.73 -34.62 19.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 117.13 23.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -63.8 161.25 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.95 17.33 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.05 144.09 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.3 -174.06 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.682 ' CE1' HD11 ' A' ' 15' ' ' ILE . 21.5 m-85 -132.77 159.53 39.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.2 22.14 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.08 24.53 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 8' ' ' ILE . 61.1 mt -101.87 -3.95 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' C ' HD13 ' A' ' 92' ' ' LEU . 6.0 m-20 -92.4 -15.21 27.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -108.07 102.78 47.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.76 -7.71 21.76 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.9 p -99.25 -19.94 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -67.61 -40.91 84.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.571 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.32 -52.13 50.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 49' ' ' LEU . 8.6 mp . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.575 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.1 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 121.537 0.684 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.68 -83.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 1.4 mpp_? -135.34 162.02 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -164.88 147.83 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.9 139.12 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 90' ' ' LEU . 12.8 mt -111.7 142.86 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -128.23 146.64 50.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.79 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -115.0 144.38 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.2 175.15 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -89.85 12.6 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.54 -39.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -160.83 177.62 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.1 mm -102.78 141.32 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.02 101.9 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -95.32 123.21 38.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -110.49 135.46 51.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.49 133.91 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.26 119.66 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.828 0.346 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -166.76 89.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -82.36 131.88 32.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.39 145.05 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.442 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -103.98 130.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -74.62 -169.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.02 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -139.16 -49.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.407 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.3 ptm -76.62 170.91 15.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -116.36 132.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG23 ' OH ' ' A' ' 48' ' ' TYR . 44.8 mm -104.0 120.28 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -100.2 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -102.33 -18.4 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.561 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.1 153.72 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 62.64 166.75 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.2 Cg_endo -69.76 -5.1 15.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -109.46 129.46 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.603 ' OH ' HG23 ' A' ' 41' ' ' ILE . 67.2 t80 -94.25 134.41 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -128.74 143.75 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.55 113.01 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 HD13 ' A' ' 96' ' ' LEU . 70.3 mt -103.75 119.38 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.78 97.1 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.655 ' HD2' HD11 ' A' ' 57' ' ' LEU . 14.9 m-30 -85.68 156.77 58.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.74 -6.83 19.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -117.4 -173.65 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -121.59 123.11 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 40' ' ' ILE . 1.3 mt -100.31 172.9 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.97 142.37 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 98.7 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.22 -167.28 1.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.55 -25.59 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -32.34 63.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 t -64.26 132.56 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.22 161.03 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.84 141.78 50.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -123.49 136.78 54.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.4 t80 -86.45 127.3 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.75 118.51 36.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 p -86.35 -38.41 17.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -30.14 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -119.74 -8.4 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.94 25.04 14.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.6 p -109.94 169.12 8.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.0 mm -115.68 133.28 62.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.79 124.84 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.49 127.62 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -111.34 141.17 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 40' ' ' ILE . 3.6 p -155.65 127.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 150.39 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HG3' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.27 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 56' ' ' GLU . 50.7 mt -80.14 -17.01 53.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.69 123.09 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -65.29 163.8 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.58 18.72 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -95.76 140.28 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -117.88 -177.35 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.9 m-85 -134.94 163.47 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.11 14.94 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -136.18 26.66 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 8' ' ' ILE . 56.9 mt -99.88 7.4 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.79 15.13 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -129.42 99.85 20.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.694 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.4 Cg_endo -69.85 -6.83 19.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.282 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -94.39 -36.72 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 5.7 mptp? -65.19 -39.58 93.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 HD22 ' A' ' 51' ' ' LEU . 5.6 mt -70.78 -43.08 69.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.539 0.685 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.43 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.53 144.61 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -161.01 133.22 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 138.17 54.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 17' ' ' LEU . 11.0 mt -111.72 143.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 146.51 50.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.69 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.92 143.87 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.21 169.39 16.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -86.33 6.84 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -126.7 -36.44 2.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.53 -176.52 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 HD21 ' A' ' 90' ' ' LEU . 5.6 mm -105.11 141.76 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -124.76 110.58 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 HG12 ' A' ' 8' ' ' ILE . 3.4 tp -101.44 124.72 47.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' ' 17' ' ' LEU . 21.1 ttpt -109.5 139.14 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.81 124.17 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -88.5 135.07 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.743 HD22 ' CD2' ' A' ' 44' ' ' LEU . 8.9 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -174.58 88.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 44' ' ' LEU . 92.7 mt -89.69 130.98 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.43 154.14 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 78' ' ' VAL . 3.1 mp -107.95 130.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.6 OUTLIER -75.02 -170.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.33 -35.92 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -141.33 -49.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.432 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 6.1 ptm -75.57 174.11 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 57' ' ' LEU . 67.1 mt -117.79 137.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.485 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.0 mm -108.86 120.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.6 101.16 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.26 -17.39 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.743 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.88 151.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 62.32 167.65 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.865 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.76 -5.54 16.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -107.13 128.94 54.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.485 ' OH ' HG23 ' A' ' 41' ' ' ILE . 47.7 t80 -94.7 129.41 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.0 tm? -128.78 143.43 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.714 ' N ' HD13 ' A' ' 49' ' ' LEU . 4.3 ttp180 -119.86 135.21 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' HD22 ' A' ' 17' ' ' LEU . 94.3 mt -124.97 115.18 20.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -108.42 109.65 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.2 m-30 -96.47 156.66 36.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -6.2 18.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -118.28 -171.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 81' ' ' LEU . 1.6 pm0 -124.11 123.92 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.712 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -101.14 -175.5 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.99 143.81 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.68 107.78 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 -172.87 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.27 -35.9 76.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -60.66 -37.62 82.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.02 132.49 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -173.44 164.97 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.17 143.2 50.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -122.35 131.85 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.2 t80 -87.83 127.0 35.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -102.5 118.07 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -86.49 -42.51 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -19.56 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -123.98 -5.87 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.92 26.45 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.76 161.86 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 15.2 mm -117.07 132.16 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -110.31 123.97 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.5 t -115.99 130.75 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -111.29 140.18 46.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.592 HG21 HD13 ' A' ' 40' ' ' ILE . 85.6 t -145.13 124.97 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -78.33 134.27 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.712 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.5 tmtt? -94.1 143.64 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 56' ' ' GLU . 54.8 mt -52.47 -42.85 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.6 140.39 51.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -77.59 162.05 27.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.63 17.73 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -89.82 116.13 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -94.32 173.88 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.789 ' HB3' HD13 ' A' ' 90' ' ' LEU . 29.0 m-85 -134.07 159.92 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -118.67 -43.45 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.14 -17.2 57.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 87' ' ' PHE . 8.7 mp -64.35 -14.44 56.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' HD23 ' A' ' 92' ' ' LEU . 20.8 m-20 -97.14 9.47 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 91' ' ' ASP . 5.2 mt -137.06 102.85 9.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -7.27 20.62 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -95.17 -23.54 17.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -80.61 -27.46 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' PHE . 5.5 mt -80.97 -42.38 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 49' ' ' LEU . 67.9 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' C ' HG22 ' A' ' 3' ' ' THR . 23.1 mt -125.04 124.11 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.933 0.397 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER 170.08 146.38 0.11 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.571 0.701 . . . . 0.0 111.128 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -48.77 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -157.16 146.26 20.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -161.86 131.62 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.6 m -124.53 140.36 53.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 17' ' ' LEU . 9.9 mt -111.83 143.12 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.64 146.3 50.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.7 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -111.48 144.25 41.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.03 177.65 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -92.77 17.93 9.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -142.36 -41.02 0.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -157.77 -176.53 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.6 mm -106.05 141.39 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -122.56 101.82 7.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 8' ' ' ILE . 3.9 tp -99.2 124.26 44.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.1 ptpt -110.28 137.9 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mp -125.33 130.94 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -95.54 131.24 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.5 pt -150.59 154.21 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.158 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -77.92 -175.96 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 p30 -94.23 34.53 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -174.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.111 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.49 103.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -113.7 90.55 3.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.0 m -70.64 157.91 37.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -118.37 21.51 12.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -111.63 -26.05 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.73 -12.22 53.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.524 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' CD2' ' A' ' 44' ' ' LEU . 11.0 mt -64.51 119.87 11.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -179.14 89.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -82.33 132.79 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.27 139.12 51.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.42 130.04 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 2.7 mm-40 -75.22 -171.48 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -34.98 55.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -139.26 -51.41 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.405 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.0 ptm -75.77 168.56 19.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.709 HD11 HD13 ' A' ' 57' ' ' LEU . 77.5 mt -116.61 136.22 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.549 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -107.71 120.48 59.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -95.45 104.48 16.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.06 -18.73 14.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.68 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.77 154.77 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.45 166.61 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.67 0.747 . . . . 0.0 110.849 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.73 -5.8 17.07 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.73 2.286 . . . . 0.0 112.324 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -109.26 129.18 55.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' OH ' HG23 ' A' ' 41' ' ' ILE . 61.6 t80 -93.84 133.02 37.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.555 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.73 142.85 50.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.485 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -122.04 118.63 29.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.826 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD1' HD22 ' A' ' 17' ' ' LEU . 69.5 mt -108.45 123.37 48.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.36 103.36 9.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HE1' HD22 ' A' ' 96' ' ' LEU . 9.0 m-85 -95.37 155.52 38.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.79 -7.34 20.81 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -112.55 -172.44 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -125.3 123.72 40.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.709 HD13 HD11 ' A' ' 40' ' ' ILE . 3.0 mt -102.7 174.1 6.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.489 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.6 tt -137.28 144.38 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.105 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -101.93 105.8 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.83 -168.86 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.35 -28.43 67.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -31.93 69.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.7 p -61.38 132.32 53.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 t -178.56 163.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.19 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -125.83 142.89 51.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -122.45 136.42 54.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.7 t80 -86.65 127.02 34.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.62 118.21 36.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.0 p -86.02 -37.14 19.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -29.99 21.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -124.02 -2.59 8.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 58.52 26.03 13.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.9 p -108.18 167.51 9.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD13 ' HD1' ' A' ' 67' ' ' TYR . 25.3 mm -116.73 133.59 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -109.06 124.56 50.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -115.27 125.0 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.75 139.39 47.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -150.79 128.73 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.34 152.0 38.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -103.7 171.13 7.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 56.0 mt -87.52 -23.8 24.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.04 123.68 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -72.36 159.23 34.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.68 16.96 9.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -96.48 150.99 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -126.71 -171.84 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.676 ' CE1' HD11 ' A' ' 15' ' ' ILE . 27.3 m-85 -133.67 159.27 41.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -128.42 17.57 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -120.29 -29.82 4.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.501 ' HA ' HD21 ' A' ' 96' ' ' LEU . 34.5 mt -54.89 -24.4 23.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.609 ' C ' HD13 ' A' ' 92' ' ' LEU . 2.7 m-20 -63.49 -29.23 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -115.45 136.06 22.69 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.629 0.728 . . . . 0.0 110.913 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -48.94 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.639 2.226 . . . . 0.0 112.356 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 18.8 p -57.84 -36.22 71.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -57.18 -22.74 42.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.634 HD22 ' HE1' ' A' ' 53' ' ' PHE . 7.3 mt -91.5 -43.03 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.86 -37.75 87.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 60.76 40.43 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -66.92 176.92 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -112.22 -25.28 9.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 72.16 -148.39 42.56 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -106.89 23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 51.49 29.27 5.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 106.98 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.27 146.92 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.544 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -75.88 104.65 6.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -135.63 147.86 48.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -144.83 160.57 41.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -140.74 141.97 34.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 110' ' ' THR . 1.8 t -140.0 104.52 4.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -110.67 133.51 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -90.38 147.56 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.1 p -85.39 161.56 19.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -81.05 145.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -81.46 -52.31 7.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -64.35 118.59 8.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -126.21 153.86 44.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.9 m -121.6 132.3 54.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -118.9 102.07 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -133.48 70.06 76.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -176.52 1.52 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 122' ' ' LEU . 4.3 pp -173.77 144.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.0 mt -120.53 107.68 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.39 158.31 34.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -145.27 144.39 30.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.8 p -156.6 137.64 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 pm0 -55.35 172.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.7 p -146.23 164.83 31.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -89.35 153.3 20.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 160.16 137.1 2.15 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.32 176.87 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 111.101 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 56.9 p -115.09 -26.56 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -61.52 158.08 15.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 95.6 mt -114.62 -32.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.903 0.382 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.837 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t -50.72 145.87 10.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.568 0.699 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -49.48 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.244 . . . . 0.0 112.321 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -156.22 151.53 26.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -167.07 138.18 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.38 140.23 53.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.573 HG12 HD13 ' A' ' 17' ' ' LEU . 6.6 mt -110.49 141.96 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.99 146.39 50.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.68 ' HA ' HD13 ' A' ' 15' ' ' ILE . 5.8 mp0 -111.47 144.29 40.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.42 -166.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -105.02 21.97 16.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.95 -40.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -154.06 -177.33 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.45 142.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -120.86 99.79 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.573 HD13 HG12 ' A' ' 8' ' ' ILE . 8.9 tp -92.44 124.11 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -109.17 134.54 51.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.3 mp -121.53 128.67 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -93.5 116.82 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.4 pt -137.71 159.45 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.18 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 m -80.57 -176.47 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -94.92 21.34 7.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.4 pp -59.9 -177.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -51.8 103.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -107.45 88.04 2.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.9 m -71.69 164.16 26.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -122.16 25.87 8.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 m -113.55 -10.72 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.15 -7.31 21.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.672 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.2 mt -71.78 117.29 13.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -174.46 84.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -80.94 132.16 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.55 138.78 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.527 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.97 129.54 51.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.458 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 10.0 mm100 -75.77 -174.17 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -49.57 -37.25 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -137.15 -52.88 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.9 ptm -74.77 168.96 18.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.814 HD11 HD13 ' A' ' 57' ' ' LEU . 90.9 mt -117.43 137.49 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.544 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.2 mm -108.56 119.44 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.11 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -95.58 106.59 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -104.8 -18.21 14.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.672 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -54.8 157.31 3.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 62.72 166.59 0.1 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.78 -5.76 16.98 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.96 129.04 56.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.976 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.544 ' OH ' HG23 ' A' ' 41' ' ' ILE . 34.1 t80 -95.15 130.54 41.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 HG21 ' A' ' 3' ' ' THR . 37.0 tp -129.21 148.89 51.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -125.19 128.83 48.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD1' HD22 ' A' ' 17' ' ' LEU . 95.7 mt -116.34 124.44 50.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -118.48 104.96 11.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.673 ' CE1' HD22 ' A' ' 96' ' ' LEU . 10.4 m-30 -95.14 155.89 38.43 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.7 Cg_endo -69.8 -7.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 0.0 112.35 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -112.71 -171.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.61 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -124.99 121.52 34.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.814 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -99.93 -177.22 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' HB ' HD21 ' A' ' 81' ' ' LEU . 12.4 tt -148.69 144.46 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.77 108.89 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.7 -168.12 1.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -68.09 -28.3 67.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -35.32 72.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -60.87 132.89 55.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -174.74 166.68 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.44 143.21 51.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -121.9 133.48 54.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.433 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -86.91 127.17 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -109.07 121.0 44.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 87.6 p -88.47 -31.94 18.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -27.81 23.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -128.26 1.84 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 54.96 30.18 13.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 72.2 m -111.38 170.51 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.433 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.1 mm -121.48 133.38 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.99 123.83 49.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.0 t -116.22 127.55 73.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.68 139.49 45.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.762 HG21 HD13 ' A' ' 40' ' ' ILE . 16.6 t -139.32 131.52 35.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.49 134.0 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.647 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -92.79 150.84 20.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.61 HD12 ' CG ' ' A' ' 56' ' ' GLU . 59.7 mt -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.02 139.62 44.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -80.08 160.73 25.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 60.38 19.29 8.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -91.37 145.4 24.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -129.3 178.45 6.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CD1' HD11 ' A' ' 15' ' ' ILE . 36.7 m-85 -130.3 152.83 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -118.77 -13.94 9.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -90.26 -26.03 20.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.586 ' HA ' HD21 ' A' ' 96' ' ' LEU . 7.5 mp -58.11 -21.98 48.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.406 ' C ' HD13 ' A' ' 92' ' ' LEU . 7.8 t70 -66.76 -24.27 66.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.444 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -108.41 116.51 56.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.645 0.736 . . . . 0.0 110.932 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -9.59 26.47 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.0 p -97.75 -33.14 11.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mmtm -67.03 -17.85 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.673 HD22 ' CE1' ' A' ' 53' ' ' PHE . 4.9 mt -90.73 -42.98 10.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.596 HD13 ' HD3' ' A' ' 99' ' ' ARG . 77.6 mt -60.05 -39.16 85.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.19 37.23 8.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.596 ' HD3' HD13 ' A' ' 97' ' ' LEU . 9.6 ptm180 -114.92 163.18 15.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -55.53 -63.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 65.86 -122.99 23.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.465 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -124.96 103.24 7.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.873 0.368 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -80.48 -16.76 53.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.39 160.34 0.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 109.62 46.24 0.92 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.59 109.24 12.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -96.45 162.41 13.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.84 148.81 28.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.8 pp -144.87 158.57 43.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.95 109.32 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -141.6 147.67 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.05 156.25 9.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 87.4 m -134.69 113.26 11.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -56.87 144.78 32.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.17 169.36 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -122.6 115.61 22.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -106.63 138.57 42.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.6 t -146.07 150.3 35.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -107.45 109.37 21.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.75 68.05 15.24 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.564 0.697 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.18 12.99 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -133.37 107.77 8.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.56 107.43 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -137.75 133.83 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -148.7 151.37 34.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 23.0 m -119.07 152.49 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -118.81 150.14 40.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.4 m -102.94 108.77 20.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -127.84 114.28 17.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.92 -151.27 16.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 12.5 m -113.14 167.99 5.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.2 t -120.06 109.17 15.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -157.24 176.67 12.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.873 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.4 mt -86.5 -41.47 15.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.721 ' CG2' HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.48 146.46 9.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.601 0.715 . . . . 0.0 111.166 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -85.75 0.0 OUTLIER 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.715 2.277 . . . . 0.0 112.391 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.5 153.51 41.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -163.23 139.89 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -124.42 138.76 54.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.488 HD13 ' CZ ' ' A' ' 53' ' ' PHE . 11.5 mt -111.46 142.21 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.05 146.71 50.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.737 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -115.43 143.68 44.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.77 176.41 7.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -92.06 19.75 6.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -143.91 -40.73 0.28 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -157.41 179.05 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.9 mm -106.29 141.96 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -122.47 108.25 12.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.5 tp -99.02 124.47 44.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -109.46 137.38 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.04 138.41 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -100.51 131.21 46.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.6 pt -151.05 161.9 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.4 m -88.06 -171.47 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -94.95 20.43 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.7 pp -59.09 -176.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -52.19 102.49 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -106.44 91.41 3.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.5 m -72.37 163.37 28.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.68 21.49 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.085 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.9 t -111.66 -29.6 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.81 -7.96 65.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.53 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.475 HD22 ' CD2' ' A' ' 44' ' ' LEU . 5.2 mt -73.02 114.23 10.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.328 . . . . 0.0 110.9 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -174.19 84.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.51 131.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.16 137.34 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.633 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -100.03 129.56 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.88 -35.55 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -138.38 -51.33 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.3 ptm -75.07 174.52 9.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 58.8 mt -123.42 136.79 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.521 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.7 mm -108.41 120.52 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -96.42 101.34 12.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.43 -18.13 17.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD23 ' N ' ' A' ' 45' ' ' SER . 0.6 OUTLIER -55.76 158.87 3.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.538 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.52 165.65 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.656 0.741 . . . . 0.0 110.904 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -6.97 19.86 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.737 2.292 . . . . 0.0 112.328 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -111.63 128.94 56.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.521 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -92.94 130.32 38.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.721 HD13 ' CG2' ' A' ' 3' ' ' THR . 48.2 tp -129.15 146.77 51.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -120.38 132.42 55.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.596 ' CD1' HD22 ' A' ' 17' ' ' LEU . 84.3 mt -120.04 115.48 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -110.88 103.51 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.606 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.0 m-85 -95.76 154.73 39.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.65 0.738 . . . . 0.0 110.825 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.68 -10.21 28.05 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.386 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -110.22 -172.76 2.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.707 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 125.33 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -106.28 -177.19 3.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD21 ' A' ' 81' ' ' LEU . 10.6 tt -145.63 144.33 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -100.63 106.77 18.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -116.12 -168.47 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.94 -26.34 65.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -31.06 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.7 p -65.89 132.86 49.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.6 t -178.77 162.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.97 141.82 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -123.42 150.14 44.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.437 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.34 127.0 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -100.83 117.19 34.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.4 p -89.17 -32.36 17.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -30.6 58.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -125.62 -1.45 7.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 61.0 27.57 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 64.3 m -111.55 176.65 4.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.437 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.0 mm -121.64 133.09 69.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -109.6 124.51 51.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.3 t -114.52 128.15 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.39 140.42 45.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' HB ' ' A' ' 15' ' ' ILE . 4.0 p -151.12 131.25 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.076 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.47 151.49 32.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.14 166.69 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.707 HD12 ' CG ' ' A' ' 56' ' ' GLU . 57.6 mt -84.33 -39.2 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.31 118.06 27.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -63.34 162.55 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.37 17.41 9.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.16 124.89 41.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -100.86 179.05 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.82 ' HB3' HD13 ' A' ' 90' ' ' LEU . 21.5 m-85 -132.29 155.77 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -116.25 -41.89 3.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.53 -22.62 63.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.82 HD13 ' HB3' ' A' ' 87' ' ' PHE . 10.0 mp -62.58 -22.37 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.53 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.7 t0 -71.55 -28.92 64.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -111.88 117.8 47.67 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.648 0.737 . . . . 0.0 110.913 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -9.81 27.02 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 79.5 p -95.06 -16.06 22.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.488 ' HE3' HD23 ' A' ' 92' ' ' LEU . 2.0 mptp? -72.21 -22.51 61.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.3 mm? -86.67 -47.24 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.7 mp -60.65 -30.81 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.81 105.22 15.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.59 166.16 13.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -82.46 111.08 18.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.08 64.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.514 ' C ' HD22 ' A' ' 103' ' ' LEU . 73.3 m-20 -96.75 29.08 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 102' ' ' ASP . 4.5 mm? -123.37 25.33 8.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -94.63 -22.42 18.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.91 149.82 5.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.41 102.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -114.56 117.69 31.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.07 152.95 25.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 109' ' ' LEU . 1.0 OUTLIER -117.94 153.78 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 m -155.84 117.78 4.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -85.21 144.01 28.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.55 162.76 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.5 m -99.09 -20.89 16.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 58.72 45.11 16.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.38 141.56 28.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.65 156.11 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -132.45 164.22 27.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 57.2 p -86.96 132.91 33.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -146.22 101.5 3.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -138.39 68.36 46.46 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.555 0.693 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -171.63 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.25 . . . . 0.0 112.308 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.6 tt -137.92 115.41 11.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.7 mt -103.68 116.59 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -99.09 147.24 25.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.65 135.38 45.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.4 t -117.39 50.77 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -132.91 129.19 38.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 34.2 m -128.25 132.14 48.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -52.13 120.48 5.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.9 120.24 0.89 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.04 138.21 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 p -129.81 155.58 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -124.18 164.0 20.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.618 ' H2 ' HD21 ' A' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 85.2 mt -91.52 -32.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.428 HG22 HD23 ' A' ' 49' ' ' LEU . 1.4 t -54.68 145.26 41.26 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.564 0.697 . . . . 0.0 111.159 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.29 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.662 2.241 . . . . 0.0 112.294 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 146.04 25.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -157.96 135.79 10.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.4 138.56 54.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 96' ' ' LEU . 7.1 mt -111.98 143.12 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.05 146.48 50.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.701 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -110.94 143.98 40.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -129.27 173.77 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.98 13.98 13.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -137.38 -40.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -158.82 -177.5 6.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.6 mm -106.16 141.82 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -121.26 108.82 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD22 HD12 ' A' ' 51' ' ' LEU . 11.5 tp -98.9 123.65 43.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -110.54 134.8 52.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 HG22 HG23 ' A' ' 21' ' ' ILE . 4.2 mp -123.62 123.1 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -89.01 113.89 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.467 HG23 HG22 ' A' ' 19' ' ' ILE . 3.2 pt -144.14 -177.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.05 -172.58 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.0 59.83 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -123.59 131.5 72.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.87 19.99 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.511 ' CE1' HD11 ' A' ' 74' ' ' ILE . 10.5 t80 -89.67 85.66 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -79.84 -16.42 55.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 -179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.65 24.21 14.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 27' ' ' SER . 46.3 t -116.22 -34.29 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.43 -10.89 76.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.7 mt -50.82 125.04 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.754 0.312 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -172.62 83.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.472 HG13 HD12 ' A' ' 44' ' ' LEU . 59.7 mt -87.97 131.9 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.2 151.87 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.539 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -109.02 130.03 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -74.9 -171.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -51.02 -36.39 39.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -139.39 -50.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.414 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.6 ptm -74.91 173.43 10.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.74 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -121.21 137.25 55.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.554 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.2 mm -108.12 120.06 58.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -98.74 104.16 16.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.9 -18.54 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.715 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.2 155.85 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.89 166.74 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.649 0.738 . . . . 0.0 110.878 -179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.74 -4.59 14.33 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.376 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -110.24 129.07 55.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.554 ' OH ' HG23 ' A' ' 41' ' ' ILE . 38.3 t80 -94.19 130.44 40.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.9 tm? -129.26 143.47 50.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.735 ' N ' HD13 ' A' ' 49' ' ' LEU . 9.8 ttp180 -119.0 132.36 56.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.602 HD12 HD22 ' A' ' 17' ' ' LEU . 68.0 mt -119.7 116.84 26.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -111.64 105.06 13.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.613 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.2 m-30 -95.71 155.11 38.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.675 0.75 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.78 -8.38 23.47 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -114.28 -173.18 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HG3' HD12 ' A' ' 81' ' ' LEU . 10.1 pt-20 -124.41 120.56 32.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.74 HD13 HD11 ' A' ' 40' ' ' ILE . 1.6 mt -96.96 -179.67 4.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.53 143.42 30.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -101.66 98.08 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.817 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.74 -173.55 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.25 -33.0 73.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -36.25 82.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.06 133.3 51.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.9 t -177.73 161.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.7 142.24 51.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -123.16 147.65 46.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.447 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.8 t80 -87.77 127.11 35.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.67 117.02 32.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.6 p -86.89 -44.54 11.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -20.7 29.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -122.93 -6.56 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 56.47 23.55 7.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.71 175.92 5.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.511 HD11 ' CE1' ' A' ' 26' ' ' PHE . 19.7 mm -122.73 131.92 72.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -110.78 124.38 51.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.5 t -115.65 129.37 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -111.87 140.53 46.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 6.4 p -150.41 128.53 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.61 150.99 30.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CD ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -102.16 157.95 16.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.757 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.1 mt -69.77 -23.79 63.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.05 127.16 31.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -69.98 162.69 27.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.06 18.93 9.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -89.65 138.91 31.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -117.96 174.68 6.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 23.9 m-85 -133.22 154.24 50.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -127.23 -1.87 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -108.32 17.44 22.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.544 HD22 HG21 ' A' ' 8' ' ' ILE . 55.8 mt -92.01 3.98 54.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.19 14.56 20.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.407 ' HB2' ' HB2' ' A' ' 95' ' ' LYS . 1.2 mt -129.88 101.21 18.46 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.615 ' O ' HD13 ' A' ' 97' ' ' LEU . 53.5 Cg_endo -69.7 -5.68 16.76 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.3 p -95.72 -29.7 14.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 1.6 mptm? -75.56 -38.02 59.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 8' ' ' ILE . 10.3 mt -69.44 -46.42 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.946 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.618 HD21 ' H2 ' ' A' ' 1' ' ' GLY . 7.0 mp -56.31 -51.85 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 62.1 41.84 10.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -142.48 154.8 44.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -90.09 128.57 36.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -69.21 178.73 26.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -53.05 103.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.858 0.361 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.07 -22.29 65.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -122.62 81.83 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.28 25.17 11.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.774 0.321 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -95.23 132.29 40.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -117.59 169.92 9.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -153.11 144.33 23.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.2 p -137.51 108.1 6.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.07 167.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -145.74 166.33 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 88.8 m -95.67 129.85 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.61 155.74 19.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.671 ' O ' HG22 ' A' ' 118' ' ' THR . . . -97.48 120.9 38.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -13.12 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.92 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.6 tttt -52.66 -33.83 48.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 115' ' ' ALA . 4.3 t -71.09 141.6 50.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -147.76 106.18 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -136.42 68.95 61.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -178.75 2.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.358 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 122' ' ' LEU . 4.2 pp -172.79 145.14 1.43 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.08 110.37 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -116.07 142.83 46.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.23 166.04 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 17.0 m -122.1 151.64 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -82.82 164.84 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.2 t -59.7 151.43 25.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -84.59 156.02 21.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -95.34 -142.13 12.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.5 m -137.85 163.01 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.4 t -112.89 177.07 4.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.07 164.09 25.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 12.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.5 mt -79.54 -32.18 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.202 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.626 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t -57.71 145.49 70.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.572 0.701 . . . . 0.0 111.18 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -48.77 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.637 2.225 . . . . 0.0 112.349 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.62 154.55 36.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -171.43 131.86 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.813 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.5 m -124.92 142.68 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.719 HG21 HD22 ' A' ' 90' ' ' LEU . 11.3 mt -111.57 143.52 21.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.8 m -127.51 146.68 50.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.31 144.56 43.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.901 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -130.42 175.98 8.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -91.02 13.62 16.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -137.21 -41.09 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -158.05 -177.3 6.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.698 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.1 mm -106.01 141.21 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -123.79 101.86 7.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.712 HD13 HG12 ' A' ' 8' ' ' ILE . 4.3 tp -98.61 124.42 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -109.91 140.01 44.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mp -125.69 143.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.69 132.39 52.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.1 pt -139.54 -176.45 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -123.76 26.8 7.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.26 53.56 12.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.591 ' O ' HD12 ' A' ' 24' ' ' ILE . 1.2 pp -119.77 137.02 55.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 47.58 33.7 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.588 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 37.7 t80 -82.55 100.96 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.3 m -118.31 115.83 25.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.33 -29.83 16.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.6 m -53.28 -29.95 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.41 -26.42 15.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.588 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 8.1 mp -51.31 109.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -174.65 68.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -70.11 134.79 29.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.51 153.69 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -113.71 129.98 68.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -73.91 -174.03 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -51.56 -35.17 39.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -139.22 -51.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.1 ptm -75.24 167.82 21.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.647 HD11 HG11 ' A' ' 78' ' ' VAL . 38.0 mt -112.0 136.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.163 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.589 HG23 ' OH ' ' A' ' 48' ' ' TYR . 45.4 mm -107.85 120.09 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.151 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -97.86 108.01 20.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -105.56 -18.87 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.58 155.13 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 60.85 166.85 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.708 0.766 . . . . 0.0 110.825 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.2 Cg_endo -69.82 -4.51 14.21 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -109.36 129.35 55.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.589 ' OH ' HG23 ' A' ' 41' ' ' ILE . 69.2 t80 -93.84 134.16 36.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -128.55 142.96 50.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.54 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.7 tpp180 -123.05 114.69 20.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.634 ' CD1' HD22 ' A' ' 17' ' ' LEU . 57.1 mt -104.5 124.28 48.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -116.34 102.95 9.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.7 m-30 -92.76 155.87 41.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.617 0.722 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.75 -8.0 22.49 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.652 2.235 . . . . 0.0 112.343 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -116.85 -171.54 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.9 pm0 -126.2 124.68 41.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.811 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.0 OUTLIER -101.08 177.57 4.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 tt -137.72 141.48 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -99.75 109.44 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -119.61 -167.93 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -71.17 -22.59 62.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.0 -29.98 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.6 p -67.2 132.51 47.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -175.79 165.15 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.65 143.18 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -122.57 135.61 54.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.501 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.87 127.03 35.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.928 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.88 117.93 35.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.2 p -86.36 -36.05 19.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -30.15 24.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -121.08 -5.34 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.14 26.67 16.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.52 170.96 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.501 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -118.62 133.8 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -108.63 124.2 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 39.2 t -115.51 124.98 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -111.88 140.02 46.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.647 HG11 HD11 ' A' ' 40' ' ' ILE . 3.2 p -151.89 128.16 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.0 149.42 39.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.811 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -105.45 147.21 28.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.49 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.3 mt -53.31 -45.15 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.45 144.54 45.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -81.53 160.89 23.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 61.86 17.25 8.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -80.37 133.16 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -107.66 171.08 7.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.635 ' CE1' HD11 ' A' ' 15' ' ' ILE . 43.8 m-85 -137.14 165.54 25.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.53 -37.28 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -63.58 -27.38 69.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.719 HD22 HG21 ' A' ' 8' ' ' ILE . 35.6 mt -60.18 -17.67 42.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.606 ' O ' HD23 ' A' ' 92' ' ' LEU . 15.1 t0 -93.67 10.19 33.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 91' ' ' ASP . 3.0 mt -143.0 103.53 5.21 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.05 22.61 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.646 2.231 . . . . 0.0 112.319 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.2 p -93.51 -29.37 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' HG3' HD12 ' A' ' 92' ' ' LEU . 9.5 mmtp -70.42 -35.65 73.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD13 HD22 ' A' ' 51' ' ' LEU . 4.7 mt -71.65 -45.84 60.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.66 -23.52 67.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.94 72.82 10.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 11.51 5.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -92.26 162.49 14.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 139.93 -161.8 26.32 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.476 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -110.23 99.4 8.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 60.41 35.91 20.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -98.55 -22.49 15.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -78.48 -46.51 8.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -58.84 108.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.062 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.1 148.5 31.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.58 141.07 43.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 pp -155.05 148.16 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.4 p -152.32 109.22 3.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -111.72 177.14 4.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -54.57 123.57 13.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 53.8 p -73.52 170.14 15.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -145.3 153.59 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.08 176.92 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.78 151.3 23.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.8 167.95 18.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -54.59 140.18 35.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -66.83 106.07 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -148.51 69.29 10.34 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 111.82 2.91 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 tp -150.9 105.22 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -106.62 128.27 61.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -83.79 175.12 9.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -103.04 155.13 18.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.77 126.5 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -55.95 161.95 2.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.4 t -132.96 131.18 40.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -52.11 -36.01 49.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 105.82 130.57 6.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.529 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.2 m -60.06 166.86 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 73.7 m -156.77 153.57 28.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -117.46 176.73 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 9.5 m120 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.4 ' C ' HG22 ' A' ' 3' ' ' THR . 43.5 mt -136.33 124.02 34.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.37 . . . . 0.0 111.128 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.614 HG21 ' CD1' ' A' ' 49' ' ' LEU . 0.6 OUTLIER 170.6 146.23 0.12 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.581 0.705 . . . . 0.0 111.141 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.348 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -158.2 147.64 19.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -165.56 135.21 3.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -124.72 144.17 50.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.66 HG21 HD22 ' A' ' 90' ' ' LEU . 7.6 mt -111.41 142.5 23.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.11 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 m -127.97 146.55 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.702 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -114.87 144.67 43.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -129.53 177.51 7.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -92.54 17.49 10.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.82 -41.29 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -155.89 -178.06 7.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.735 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.0 mm -105.75 141.07 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -121.94 100.34 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD13 HG12 ' A' ' 8' ' ' ILE . 8.3 tp -97.83 124.56 42.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -110.0 139.27 45.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.1 mp -126.7 127.11 69.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -90.16 129.67 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.3 pt -150.21 165.67 2.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -92.47 -170.69 2.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.13 20.72 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 25' ' ' ARG . 2.4 pp -58.3 -175.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' HD12 ' A' ' 24' ' ' ILE . 20.3 mmt85 -50.08 104.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -118.71 93.18 4.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 29' ' ' VAL . 8.5 m -85.87 161.68 18.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -113.16 23.93 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG22 ' HB3' ' A' ' 27' ' ' SER . 16.5 m -110.39 -17.43 8.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.02 -7.64 30.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.74 HD22 ' CD2' ' A' ' 44' ' ' LEU . 7.3 mt -73.7 117.13 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.728 0.299 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 54.6 tp10 -175.12 80.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.2 mt -74.77 132.15 33.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 141.46 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.6 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.43 129.76 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.14 -171.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -52.15 -34.87 46.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -140.22 -51.11 0.48 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.8 ptm -74.76 171.15 14.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 53.7 mt -116.92 135.88 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.168 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.3 mm -107.46 120.14 58.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -96.67 105.06 17.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -103.88 -18.86 14.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.74 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -53.91 153.12 5.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 63.08 166.88 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.623 0.725 . . . . 0.0 110.886 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.0 Cg_endo -69.74 -4.82 14.78 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -108.89 128.96 55.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.1 t80 -94.49 132.89 38.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -128.79 143.3 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.523 ' H ' HD23 ' A' ' 49' ' ' LEU . 1.4 ttp180 -122.4 116.3 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.578 ' CD1' HD22 ' A' ' 17' ' ' LEU . 51.1 mt -105.78 121.49 44.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -115.61 103.15 10.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.595 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.2 m-85 -95.59 155.02 39.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.4 Cg_endo -69.72 -7.94 22.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -111.33 -172.91 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.8 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.0 pt-20 -126.3 120.17 29.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.5 mt -99.99 175.77 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.7 tt -137.28 144.22 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -101.51 95.13 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -103.07 -167.66 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -68.06 -28.72 67.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -67.73 -32.26 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -51.63 132.5 30.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 62' ' ' ARG . 5.7 t -179.61 164.12 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -130.4 142.82 50.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -121.81 133.14 54.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.502 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.54 126.57 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.15 121.06 42.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 34.5 t -85.57 -38.04 18.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.72 -30.12 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -122.47 -5.49 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.821 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 59.81 25.79 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.56 159.65 17.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.502 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.4 mm -106.71 134.17 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.117 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -108.77 123.29 48.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 t -116.74 125.0 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 140.58 46.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 40' ' ' ILE . 3.5 p -146.6 131.75 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.71 147.23 41.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.539 ' CD ' HD23 ' A' ' 57' ' ' LEU . 1.1 mmmt -101.31 155.93 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.8 HD12 ' HG3' ' A' ' 56' ' ' GLU . 59.2 mt -71.16 -27.8 63.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.47 129.83 39.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -75.18 161.59 29.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.15 17.16 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -93.07 137.3 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -113.37 -178.6 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE1' HD11 ' A' ' 15' ' ' ILE . 24.0 m-85 -133.19 153.51 51.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.96 17.06 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.89 -28.53 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.66 HD22 HG21 ' A' ' 8' ' ' ILE . 40.0 mt -58.89 -21.29 57.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.617 ' C ' HD13 ' A' ' 92' ' ' LEU . 16.0 t0 -62.91 -27.17 69.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.618 HD23 ' HG3' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -114.8 118.52 40.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.586 0.708 . . . . 0.0 110.957 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.622 ' O ' HD23 ' A' ' 97' ' ' LEU . 53.9 Cg_endo -69.73 -7.45 21.09 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.9 p -93.61 -36.18 12.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.618 ' HG3' HD23 ' A' ' 92' ' ' LEU . 4.3 mmtt -51.21 -35.39 36.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -73.59 -42.91 60.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? -64.93 -49.79 68.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.88 43.53 30.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.6 mtp85 -95.31 124.41 39.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -104.26 114.24 28.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 111.33 156.11 13.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -93.25 111.01 22.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.4 tp -104.39 -33.06 8.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -100.44 128.0 46.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.053 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.55 -143.09 0.34 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -104.66 25.93 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -85.12 141.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -158.58 177.5 11.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 109' ' ' LEU . 1.2 pt? -116.19 165.92 12.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.9 m -149.14 102.92 3.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -57.86 137.94 56.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -103.62 153.51 20.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.0 t -120.19 163.28 17.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.155 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -66.02 121.85 16.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -147.16 141.2 25.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.89 159.5 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -132.24 153.26 50.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.22 142.78 27.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.165 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -134.78 100.98 4.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -120.46 69.99 16.34 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.546 0.688 . . . . 0.0 110.943 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 178.79 4.21 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -173.06 145.36 1.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.0 mt -114.39 126.2 71.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.7 tm0? -117.17 148.19 41.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -161.89 155.56 21.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 p -142.93 140.81 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -81.47 165.32 21.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.8 t -142.68 155.11 44.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -164.35 171.98 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -175.09 88.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 68.6 t -85.53 108.58 17.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.2 t -119.02 137.22 53.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -71.63 -32.13 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 28.4 t30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.2 mt -82.73 -35.01 12.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.951 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -50.75 146.75 9.42 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.601 0.715 . . . . 0.0 111.118 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -48.98 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.92 153.52 31.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -167.36 140.78 3.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.46 140.09 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.721 HG12 HD23 ' A' ' 17' ' ' LEU . 4.8 mt -111.08 142.1 24.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.4 m -129.03 146.03 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.675 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -112.86 144.16 42.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.03 176.94 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -91.99 17.33 9.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -143.39 -41.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -155.05 -179.48 8.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.6 mm -103.67 141.52 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -119.0 98.99 6.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.721 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -95.36 122.81 38.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.656 ' N ' HD22 ' A' ' 17' ' ' LEU . 24.2 ttpt -109.9 143.28 40.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -126.65 133.66 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -99.97 119.88 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.0 pt -132.07 178.47 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.21 27.91 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.9 p30 40.66 59.59 2.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 117.52 54.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 51.42 31.59 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -66.97 109.32 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.452 ' O ' HD13 ' A' ' 31' ' ' LEU . 21.1 t -107.15 179.17 4.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.78 23.36 10.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.8 p -104.52 -25.79 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.151 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.87 -20.97 24.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 27' ' ' SER . 8.7 mp -51.78 112.2 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.757 0.313 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -174.91 72.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.462 HG13 HD12 ' A' ' 44' ' ' LEU . 81.0 mt -79.27 131.84 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.41 154.89 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.521 HD13 HG23 ' A' ' 78' ' ' VAL . 2.7 mp -112.8 131.59 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.44 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.5 OUTLIER -76.01 -171.11 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.0 -37.06 51.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -138.31 -50.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.44 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.3 ptm -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.767 HD11 HD13 ' A' ' 57' ' ' LEU . 37.2 mt -115.98 138.45 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.09 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.572 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.5 mm -107.91 120.5 59.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -100.13 101.86 13.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -98.99 -17.56 18.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -52.14 156.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.417 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 61.29 166.04 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.75 -4.83 14.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -110.75 129.1 55.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.959 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' OH ' HG23 ' A' ' 41' ' ' ILE . 49.4 t80 -93.05 130.0 38.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.951 HD22 HG21 ' A' ' 3' ' ' THR . 41.6 tp -128.7 147.04 50.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -122.36 131.75 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.512 HD22 HD13 ' A' ' 96' ' ' LEU . 71.5 mt -119.81 113.46 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 14.7 tpt180 -108.91 105.15 14.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.597 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -95.53 156.23 37.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.615 0.721 . . . . 0.0 110.854 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.461 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.77 -6.75 19.36 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.703 2.269 . . . . 0.0 112.349 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -113.34 -173.06 2.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.77 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.6 pt-20 -125.41 120.26 30.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 40' ' ' ILE . 2.2 mt -100.79 173.83 6.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -135.33 144.72 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -101.58 106.32 17.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.8 -167.07 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.73 -34.58 78.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -61.98 -37.91 86.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 p -51.88 132.08 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.8 t -178.84 166.45 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.15 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.49 142.7 47.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -122.72 145.85 48.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -88.03 126.68 35.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -101.57 118.14 36.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.19 -25.94 21.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -31.95 64.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -131.08 3.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 59.89 31.25 20.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.5 m -110.79 172.35 6.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.441 HD13 ' HD1' ' A' ' 67' ' ' TYR . 22.6 mm -120.68 132.24 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -110.31 122.24 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.9 t -117.28 125.32 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.32 140.91 45.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.71 HG11 HD11 ' A' ' 40' ' ' ILE . 4.7 p -144.25 130.04 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -71.37 146.36 48.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.89 161.74 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.77 HD12 ' HG3' ' A' ' 56' ' ' GLU . 48.6 mt -72.97 -43.05 62.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -117.26 119.69 35.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.5 tttm -64.66 161.57 17.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.86 17.24 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -93.41 127.24 38.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -104.95 179.36 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.703 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -131.82 148.59 52.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -123.26 16.97 9.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.416 ' HB2' ' HD3' ' A' ' 54' ' ' PRO . 61.6 m-20 -117.95 -14.8 10.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.533 HD22 HG21 ' A' ' 8' ' ' ILE . 44.2 mt -66.66 -12.87 60.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -78.75 -23.71 45.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -106.71 108.66 62.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.932 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -8.11 22.75 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 p -95.86 -29.1 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -66.24 -24.22 66.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.654 HD13 HD11 ' A' ' 8' ' ' ILE . 3.1 mt -82.94 -47.01 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.2 mp -63.24 -27.89 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.2 107.71 4.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -73.01 -30.13 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -64.57 122.26 16.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -156.29 149.09 19.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.525 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -101.35 28.88 5.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.7 mt -81.85 -25.53 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.01 114.94 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 127.48 66.52 0.14 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.91 105.02 3.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.769 0.319 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -98.74 14.7 27.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -120.55 151.67 39.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 109' ' ' LEU . 4.0 pp -143.77 137.35 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.8 p -137.26 108.35 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -68.12 170.76 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -129.28 161.52 30.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.8 m -156.63 140.73 16.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.37 147.36 24.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -136.84 174.11 10.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 125.69 29.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -78.13 112.04 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -120.31 162.19 19.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -56.28 100.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -144.45 71.6 15.84 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.615 0.721 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 133.49 25.59 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.39 108.21 19.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 33.1 mt -118.61 139.17 46.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -167.3 170.42 11.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -98.15 119.72 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.2 t -81.15 133.93 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -131.82 162.94 29.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.1 t -137.66 135.88 36.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -76.64 -46.64 25.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 123.33 149.38 7.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.07 143.1 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.3 t -116.6 176.85 4.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -130.04 175.87 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.5 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.36 -38.35 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.621 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.5 t -56.98 145.75 63.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.316 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.51 154.13 34.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.424 ' CE1' HD21 ' A' ' 97' ' ' LEU . 45.3 p90 -167.88 130.49 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 142.09 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.757 HG12 HD13 ' A' ' 17' ' ' LEU . 11.2 mt -111.98 143.74 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m -126.63 155.84 41.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.649 ' HG3' HD12 ' A' ' 90' ' ' LEU . 4.0 mp0 -113.33 144.52 42.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.6 177.14 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.66 27.04 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -154.61 -40.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -157.02 -175.95 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.73 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.3 mm -103.02 141.45 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.74 97.9 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.757 HD13 HG12 ' A' ' 8' ' ' ILE . 1.6 tp -97.03 124.4 41.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' N ' HD12 ' A' ' 17' ' ' LEU . 3.6 ptpt -109.13 137.9 46.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.4 mp -121.36 128.77 75.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -89.41 129.37 35.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.7 pt -150.83 148.32 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -68.07 -179.74 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -90.63 13.75 15.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -54.4 176.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -59.5 95.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.651 ' CE2' HD11 ' A' ' 74' ' ' ILE . 11.9 t80 -59.35 135.97 57.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.86 -75.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' H ' HD21 ' A' ' 31' ' ' LEU . . . 54.84 43.62 29.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.4 m -126.82 -36.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -133.34 28.41 3.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' H ' ' A' ' 28' ' ' ALA . 7.3 mt -56.38 118.47 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -173.75 83.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 89.2 mt -75.72 131.67 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.65 155.84 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG23 HG12 ' A' ' 40' ' ' ILE . 3.0 mp -117.33 129.33 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -72.02 -168.57 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -51.95 -35.57 46.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -141.72 -48.76 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.412 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.4 ptm -73.58 170.61 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 78' ' ' VAL . 56.4 mt -116.26 137.15 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.7 mm -109.48 120.15 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -96.95 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -104.48 -18.92 14.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.54 153.19 5.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.434 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.4 OUTLIER 63.76 166.88 0.11 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.68 0.753 . . . . 0.0 110.853 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.76 -5.15 15.52 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -108.57 129.05 55.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.445 ' OH ' HG23 ' A' ' 41' ' ' ILE . 64.4 t80 -94.87 132.52 39.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.621 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.4 OUTLIER -129.32 143.37 50.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.94 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' H ' HD23 ' A' ' 49' ' ' LEU . 14.1 ttp180 -125.72 116.67 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 ' CD1' HD22 ' A' ' 17' ' ' LEU . 26.9 mt -108.74 134.52 51.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.45 106.6 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.635 ' CD2' HD11 ' A' ' 57' ' ' LEU . 5.9 m-30 -95.54 156.97 36.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.672 0.749 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.8 -7.13 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -112.85 -171.79 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.465 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.1 pm0 -125.6 122.47 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.695 HD13 HD11 ' A' ' 40' ' ' ILE . 2.4 mt -102.96 179.09 4.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.5 tt -139.29 142.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -103.23 102.62 12.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.97 -167.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -28.28 68.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -65.75 -30.49 71.16 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 p -51.09 131.48 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -178.95 166.79 1.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -136.95 143.28 42.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -122.02 132.8 54.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.8 127.47 35.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -106.41 124.26 49.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 p -87.35 -33.74 19.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.7 -30.62 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -129.32 4.61 5.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 51.81 30.74 7.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.7 p -111.63 156.45 21.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.651 HD11 ' CE2' ' A' ' 26' ' ' PHE . 25.3 mm -106.26 133.45 50.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -109.13 121.91 46.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 t -118.12 129.73 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.96 139.1 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.787 HG21 HD13 ' A' ' 40' ' ' ILE . 41.4 t -138.66 125.98 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.84 134.31 39.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -92.74 167.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 56' ' ' GLU . 60.8 mt -76.93 -33.15 57.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.91 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.98 126.2 39.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -65.17 164.61 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 59.71 20.64 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -86.38 144.98 27.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -122.46 173.82 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.73 ' CE1' HD11 ' A' ' 15' ' ' ILE . 39.7 m-85 -136.32 169.19 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -131.37 -42.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -62.67 -21.32 65.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.649 HD12 ' HG3' ' A' ' 10' ' ' GLN . 24.0 mt -63.38 -15.4 57.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.486 ' O ' HD23 ' A' ' 92' ' ' LEU . 59.0 m-20 -89.96 10.96 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.486 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.8 mt -140.74 104.02 6.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.638 0.732 . . . . 0.0 110.884 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.5 Cg_endo -69.78 -6.25 18.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.8 p -97.99 -8.66 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.435 ' HE2' HD13 ' A' ' 92' ' ' LEU . 13.0 mptt -95.96 -37.17 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.623 HD22 ' CE1' ' A' ' 53' ' ' PHE . 7.8 mt -68.46 -45.36 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 6' ' ' PHE . 95.8 mt -55.89 -26.13 45.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 117.04 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.36 -7.2 13.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -51.48 130.06 26.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.32 -153.29 6.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -140.79 104.92 4.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.2 mt 56.16 23.87 7.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 122.68 14.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -102.86 151.92 18.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -126.24 103.82 7.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.332 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -131.34 138.56 49.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -143.81 147.83 34.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.3 pp -126.72 152.25 47.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.3 t -155.31 112.25 3.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -138.56 160.73 38.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -152.54 165.63 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 38.4 p -144.0 158.78 43.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -120.57 171.47 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -126.38 140.0 52.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -84.63 116.97 23.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -122.86 158.77 29.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.4 t -113.16 142.19 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -156.26 109.28 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.12 68.35 4.81 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.75 26.54 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.74 106.08 16.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 44.5 mt -108.22 123.81 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -73.07 137.09 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -95.47 108.64 20.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 14.1 p -133.9 140.18 46.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -139.85 164.86 28.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.4 m -130.7 150.68 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.183 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -142.19 114.25 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -143.56 -145.93 4.47 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.95 144.32 28.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 77.9 p -79.26 165.59 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -74.69 -61.39 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 49' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.2 mt -144.17 118.5 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 111.08 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.793 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER 172.82 140.73 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.165 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -51.88 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.88 153.47 26.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -170.6 136.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.72 145.43 49.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.817 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.778 HG12 HD23 ' A' ' 17' ' ' LEU . 2.0 mt -112.54 143.93 21.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -127.78 145.32 50.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.677 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -110.11 144.54 38.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.855 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.54 171.73 13.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -87.45 6.56 33.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -127.01 -36.11 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -168.1 -174.02 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.677 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.3 mm -104.48 141.16 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -123.36 100.63 6.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.778 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -98.98 122.83 42.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.683 ' N ' HD22 ' A' ' 17' ' ' LEU . 1.3 ptpt -109.99 139.84 44.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.0 mp -121.6 130.46 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -92.49 124.53 36.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.2 pt -149.99 150.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.9 m -74.55 -173.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -92.26 22.16 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.6 pt -56.71 -178.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 102.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -114.9 108.28 16.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -92.78 167.12 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.8 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.87 23.12 11.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 17.5 m -98.71 -31.64 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.48 -18.36 49.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 mp -51.94 104.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.51 65.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.0 mt -66.68 132.95 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -125.37 151.38 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -111.46 131.7 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.8 OUTLIER -76.59 -171.26 1.79 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -52.3 -35.3 50.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -139.45 -50.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.9 ptm -75.52 171.67 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 84.0 mt -119.65 139.13 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG23 ' OH ' ' A' ' 48' ' ' TYR . 51.7 mm -108.36 119.94 58.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -97.57 100.33 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -98.42 -18.71 18.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.565 HD13 HG21 ' A' ' 74' ' ' ILE . 0.5 OUTLIER -50.85 153.56 1.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.468 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.6 OUTLIER 63.79 166.77 0.11 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.664 0.745 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.9 Cg_endo -69.74 -4.86 14.87 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.678 2.252 . . . . 0.0 112.381 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -110.28 128.73 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.511 ' OH ' HG23 ' A' ' 41' ' ' ILE . 35.8 t80 -94.47 129.5 41.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.793 HD22 HG21 ' A' ' 3' ' ' THR . 55.5 tp -128.48 145.52 51.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.961 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.0 130.95 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD22 HD13 ' A' ' 96' ' ' LEU . 83.3 mt -118.25 115.68 25.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.66 104.36 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CE1' HD22 ' A' ' 96' ' ' LEU . 15.9 m-30 -95.03 155.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.8 -7.72 21.78 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.297 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' ' HZ1' ' A' ' 80' ' ' LYS . 90.3 m-70 -114.26 -172.15 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.722 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.5 pt-20 -126.83 122.9 36.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.1 mt -99.34 177.85 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.9 tt -135.74 140.97 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.8 OUTLIER -99.72 98.35 9.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -107.15 -169.47 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.4 -26.01 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.429 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -70.51 -35.04 72.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.13 132.07 27.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 62' ' ' ARG . 8.2 t -179.92 166.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -128.49 142.78 50.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -121.57 133.47 55.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.74 126.83 34.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.64 118.32 36.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.34 -31.8 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.31 -32.8 50.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -125.35 -1.32 7.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 60.25 26.59 16.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 29.0 p -108.54 161.04 15.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 44' ' ' LEU . 21.2 mm -110.28 133.41 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -110.3 123.53 49.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.39 124.81 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.096 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.57 140.61 46.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.696 HG11 HD11 ' A' ' 40' ' ' ILE . 5.4 p -147.34 130.75 8.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' A' ' 60' ' ' ASP . . . -75.22 144.84 42.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.592 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.4 tmtt? -100.29 147.07 26.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.722 HD12 ' HG3' ' A' ' 56' ' ' GLU . 54.1 mt -51.98 -30.59 25.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -131.87 136.33 47.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -76.49 161.96 28.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 60.97 19.39 9.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -94.42 140.09 30.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -118.51 -175.27 2.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 31.6 m-85 -135.09 156.04 49.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.79 9.39 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -118.28 -14.49 9.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 87' ' ' PHE . 8.0 mp -64.26 -15.05 59.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.529 ' C ' HD13 ' A' ' 92' ' ' LEU . 8.3 m-20 -77.37 -25.17 50.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.529 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -110.86 117.43 50.38 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.556 0.693 . . . . 0.0 110.947 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -36.53 10.61 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.2 p -65.74 -35.5 80.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -60.54 -20.4 60.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.71 HD13 HD11 ' A' ' 8' ' ' ILE . 3.2 mt -87.38 -43.99 11.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.35 -25.61 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.61 47.64 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -55.59 -34.92 65.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -51.77 -53.94 34.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 154.57 113.78 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -113.68 105.63 13.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 22.9 mt -99.69 26.92 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.87 -22.04 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 61.33 173.08 1.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -120.83 99.73 6.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.71 16.39 25.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.53 128.58 27.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 8.7 mt -136.58 142.03 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 74.3 p -148.78 115.44 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.74 102.2 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -129.91 144.28 51.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.1 p -99.65 122.04 42.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -148.71 108.01 3.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.831 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -149.51 117.5 6.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -101.39 176.31 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -153.99 171.46 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.0 t -152.32 142.88 22.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -136.38 168.99 18.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? 54.21 71.64 1.3 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.555 0.693 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -179.68 3.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.2 mt -110.54 27.37 9.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 35.9 mt -94.45 115.85 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -112.82 117.63 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -135.73 125.19 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 26.5 t -62.13 134.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.36 135.95 35.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 67.8 p -136.8 108.04 6.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.182 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -53.47 113.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.35 -32.68 59.72 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.475 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 84.3 t -91.14 116.4 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.075 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.8 m -63.8 135.46 56.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -68.0 -31.28 70.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 31.9 mt -133.73 122.19 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.669 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER 170.9 145.63 0.12 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 111.128 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -49.42 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.647 2.231 . . . . 0.0 112.305 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -157.22 141.02 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -156.63 133.7 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -124.97 143.14 51.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.686 HG12 HD23 ' A' ' 17' ' ' LEU . 1.6 mt -112.15 142.48 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.09 146.47 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.687 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -112.43 144.37 41.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.77 177.47 7.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -92.49 16.36 12.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -143.01 -40.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -155.62 -177.26 6.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.687 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.4 mm -104.92 141.19 20.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -119.73 95.39 4.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.686 HD23 HG12 ' A' ' 8' ' ' ILE . 1.4 tm? -97.26 122.97 40.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.636 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.9 ptpt -109.81 141.45 42.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -125.18 116.39 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -76.7 123.86 26.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -148.3 170.66 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.8 m -99.98 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.87 18.85 8.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.424 HD12 ' O ' ' A' ' 25' ' ' ARG . 2.8 pp -57.65 -175.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' O ' HD12 ' A' ' 24' ' ' ILE . 11.6 ptm180 -49.58 104.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -119.16 87.02 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 p -73.16 158.28 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 20.65 14.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 m -109.69 -29.34 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.01 -15.06 53.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.751 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.2 mt -62.88 117.36 6.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -173.93 82.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG13 HD12 ' A' ' 44' ' ' LEU . 66.5 mt -77.33 131.95 33.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.32 140.2 48.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -102.23 129.36 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -72.68 -169.65 0.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -54.38 -36.63 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -137.05 -49.77 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.417 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -76.64 172.67 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.844 HD11 HD13 ' A' ' 57' ' ' LEU . 93.0 mt -120.33 136.38 57.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.528 HG23 ' OH ' ' A' ' 48' ' ' TYR . 50.9 mm -108.16 120.3 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -97.89 102.12 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -99.68 -18.99 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.751 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -52.04 156.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.23 166.38 0.11 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 0.0 110.888 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.73 -5.34 15.95 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.24 . . . . 0.0 112.364 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -110.84 128.92 55.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.528 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.1 t80 -94.31 129.34 41.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 3' ' ' THR . 50.2 tp -128.61 146.03 50.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.87 132.75 54.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -121.85 122.43 39.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -116.27 108.06 15.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.642 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.1 m-30 -96.04 156.04 37.57 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.682 0.753 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.446 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.1 Cg_endo -69.77 -7.29 20.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.248 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -115.56 -172.14 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.597 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.2 pm0 -123.33 123.0 39.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.844 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -102.33 -175.4 2.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.5 tt -148.96 144.73 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.86 106.23 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.35 -166.28 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -67.56 -33.42 75.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.481 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.48 -36.1 82.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.4 p -56.71 132.18 51.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.3 t -173.12 158.94 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.6 143.38 49.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -122.36 132.15 54.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.6 t80 -87.38 126.82 35.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -107.24 113.66 27.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.1 t -83.56 -32.99 25.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -24.52 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -130.41 3.35 4.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 52.01 29.6 6.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 15.5 t -111.46 155.11 23.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -109.96 132.78 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.126 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -110.12 123.66 50.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 125.28 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.148 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -104.99 140.05 38.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.763 HG21 HD13 ' A' ' 40' ' ' ILE . 21.4 t -141.03 126.84 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -77.22 134.39 38.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.58 155.6 17.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.597 HD12 ' CG ' ' A' ' 56' ' ' GLU . 58.5 mt -68.7 -46.33 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -114.53 127.33 55.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -68.38 161.01 28.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 62.47 16.78 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -91.08 126.21 36.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -104.0 179.24 4.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.556 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.1 m-85 -134.58 155.87 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -127.18 14.9 7.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -117.73 -19.61 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.618 HD12 ' HB3' ' A' ' 10' ' ' GLN . 29.3 mt -64.06 -15.62 59.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.404 ' O ' HD23 ' A' ' 92' ' ' LEU . 14.3 t0 -90.98 14.11 14.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.487 ' O ' HD22 ' A' ' 96' ' ' LEU . 2.9 mt -138.5 106.51 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.599 0.714 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -5.99 17.56 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.647 2.231 . . . . 0.0 112.32 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.8 p -93.62 -34.79 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -57.16 -56.97 14.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -53.65 -49.11 68.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mp -63.91 -25.46 68.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.59 37.23 19.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -137.59 149.54 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -78.19 -24.75 47.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.2 115.79 0.95 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -95.53 24.93 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 0.0 110.821 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 mt 51.82 29.05 5.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.35 46.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.148 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.45 -57.11 6.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 57.24 45.63 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.751 0.31 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -74.14 143.44 45.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.53 176.66 8.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.66 161.45 32.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.22 103.26 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.11 147.25 34.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -141.13 134.63 29.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 72.2 p -148.1 116.17 6.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -112.56 -34.85 5.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.58 126.29 28.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.86 171.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 22.4 tptp -64.46 133.74 53.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.2 m -83.67 129.29 34.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -57.61 105.29 0.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -120.11 68.67 13.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.586 0.708 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.02 1.02 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.66 104.34 14.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 74.5 mt -119.73 141.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -110.2 163.28 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -120.11 161.61 20.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 69.2 t -110.82 117.46 55.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -150.59 149.44 29.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.2 t -149.97 157.96 43.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -160.24 159.95 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.46 132.2 2.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 14.5 p -151.36 146.63 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 86.3 p -119.91 147.88 44.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -128.75 155.48 45.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mt -80.32 -41.11 20.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.897 0.38 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.637 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.2 t -51.41 145.78 13.7 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.57 0.7 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -49.02 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.92 159.72 43.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -173.05 131.77 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.4 m -124.6 142.47 51.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.836 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.653 HG12 HD13 ' A' ' 17' ' ' LEU . 7.4 mt -111.12 142.96 21.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.1 m -127.66 145.94 50.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.685 ' HA ' HD13 ' A' ' 15' ' ' ILE . 8.8 mp0 -106.99 144.25 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.13 176.01 7.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -92.38 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -143.91 -39.88 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -157.43 -175.39 5.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.685 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.5 mm -106.54 141.68 21.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -121.2 104.08 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.653 HD13 HG12 ' A' ' 8' ' ' ILE . 7.2 tp -99.61 124.48 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -110.03 137.93 47.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.7 mp -124.25 133.78 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.23 128.85 38.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.7 pt -150.59 151.69 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -74.92 -173.91 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -95.08 25.84 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.922 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -57.22 -177.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.02 96.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -95.62 103.9 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.8 m -88.43 170.78 10.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.11 26.32 8.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 29' ' ' VAL . 14.1 t -112.87 -6.74 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -121.15 4.38 11.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD22 ' CD2' ' A' ' 44' ' ' LEU . 2.9 mt -86.6 114.37 23.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -174.46 79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.72 131.99 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.081 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.44 140.32 48.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -102.18 130.83 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.45 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.4 mm-40 -75.99 -173.26 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.9 -34.04 39.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -140.05 -52.02 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.45 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.29 170.05 16.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.711 HD11 HD13 ' A' ' 57' ' ' LEU . 59.2 mt -116.48 135.74 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.497 HG23 ' OH ' ' A' ' 48' ' ' TYR . 46.3 mm -107.85 120.44 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -96.62 107.18 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -106.57 -18.26 14.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 45' ' ' SER . 1.2 tt -55.8 154.54 6.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.544 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 63.68 166.85 0.11 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.8 -4.87 14.94 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -110.45 129.07 55.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.497 ' OH ' HG23 ' A' ' 41' ' ' ILE . 63.2 t80 -94.56 133.8 37.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.5 OUTLIER -129.19 143.17 50.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.563 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -122.71 115.71 22.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.627 ' CD1' HD22 ' A' ' 17' ' ' LEU . 53.4 mt -105.3 127.5 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -120.78 103.42 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HD2' HD11 ' A' ' 57' ' ' LEU . 11.9 m-85 -94.36 155.76 39.44 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.661 0.743 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.9 Cg_endo -69.71 -7.22 20.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -117.37 -171.95 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.689 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.2 pt-20 -125.46 125.35 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.711 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -101.24 179.7 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -138.13 142.56 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.14 100.98 11.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -110.63 -167.92 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -71.0 -24.84 62.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 -32.21 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.8 p -63.91 131.95 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.2 t -178.25 163.24 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -122.72 142.75 50.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -123.06 131.19 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.426 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.5 t80 -89.15 129.4 35.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.05 122.99 48.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.2 p -86.83 -40.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -26.73 33.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -115.75 -14.75 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.76 25.8 14.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.3 173.24 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.426 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.7 mm -122.35 132.26 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -109.81 124.45 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.01 125.56 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.32 140.53 45.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -155.82 124.0 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.0 152.73 32.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.46 168.64 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.689 HD12 ' HG3' ' A' ' 56' ' ' GLU . 70.6 mt -74.73 -10.76 59.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -143.6 142.65 31.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.16 159.09 20.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.58 18.06 9.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -94.12 148.62 22.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -129.46 -170.67 2.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.67 ' CD1' HD11 ' A' ' 15' ' ' ILE . 33.2 m-85 -135.13 155.27 51.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -118.27 -8.46 10.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -97.24 -25.56 15.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 87' ' ' PHE . 7.4 mp -59.04 -19.87 47.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.512 ' C ' HD13 ' A' ' 92' ' ' LEU . 1.6 m-20 -70.56 -20.7 62.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.512 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.7 OUTLIER -114.56 111.41 46.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -8.32 23.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 66.8 p -95.3 -22.79 17.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -75.05 -26.52 59.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 53' ' ' PHE . 6.0 mt -78.65 -50.41 11.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt -60.38 -66.55 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 59.43 36.2 23.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -94.23 177.18 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -116.92 -25.9 7.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.0 -138.8 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -100.26 106.7 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.4 pp -75.11 -36.11 61.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.19 166.02 17.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -101.42 22.61 12.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -119.69 146.88 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -144.18 135.89 26.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 pp -153.81 152.57 30.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 t -155.32 115.83 3.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -116.66 143.92 45.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -113.58 116.87 30.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 t -55.14 160.04 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -127.39 110.48 12.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.54 159.03 15.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.69 108.41 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -153.81 137.16 15.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.923 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 118' ' ' THR . 1.9 t -52.91 105.07 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -157.4 108.42 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -117.86 68.12 6.24 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.56 0.695 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -170.88 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 122' ' ' LEU . 3.2 pp -140.94 128.75 21.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 43.0 mt -145.54 134.39 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -104.09 145.28 30.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -128.59 148.29 50.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 55.2 t -136.21 141.62 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -150.0 138.48 20.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.9 t -155.99 109.25 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -137.34 177.23 8.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -160.27 -131.28 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.66 133.34 69.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 111.149 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 8.4 t -103.62 147.1 27.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -106.81 145.7 31.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.5 mt -113.75 -31.72 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 1.028 HG21 HD22 ' A' ' 49' ' ' LEU . 1.1 t -51.11 146.23 11.36 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.612 0.72 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.04 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.355 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -153.5 151.74 30.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -166.88 141.76 4.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.822 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.84 140.17 53.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 17' ' ' LEU . 3.3 mt -110.94 142.08 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -128.5 145.73 51.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.698 ' HA ' HD13 ' A' ' 15' ' ' ILE . 1.6 pt20 -114.78 143.85 44.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -133.13 172.08 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.15 9.0 24.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -130.25 -38.45 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.917 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -163.13 -176.62 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.4 mm -105.85 141.67 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -120.48 100.49 7.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.619 HD23 HG12 ' A' ' 8' ' ' ILE . 2.0 tm? -96.16 122.9 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.569 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.2 ttpt -110.16 142.29 41.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.7 mp -127.75 132.71 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -94.19 113.23 25.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.418 HD11 HG12 ' A' ' 74' ' ' ILE . 4.3 pt -145.08 -177.56 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.5 -177.44 4.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -95.08 29.24 2.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -23.15 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.39 41.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.495 ' CZ ' HD11 ' A' ' 74' ' ' ILE . 5.0 t80 -79.81 91.87 5.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.2 m -83.83 -16.73 43.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.67 25.7 13.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.113 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.6 p -112.98 -24.35 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -101.57 12.2 58.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.739 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt -75.3 125.62 29.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -176.24 88.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.496 HG13 HD12 ' A' ' 44' ' ' LEU . 61.6 mt -95.36 131.69 41.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.6 155.83 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.529 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.45 130.2 64.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.4 OUTLIER -76.69 -169.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -52.42 -36.44 54.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -140.0 -49.05 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.412 ' HE3' ' HG3' ' A' ' 52' ' ' ARG . 3.6 ptm -76.56 175.91 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.841 HD11 HD13 ' A' ' 57' ' ' LEU . 69.6 mt -124.01 138.63 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.32 120.72 60.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -98.88 105.51 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -102.32 -18.1 15.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.739 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -50.74 156.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.437 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 60.63 167.09 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.676 0.751 . . . . 0.0 110.868 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.74 -5.62 16.63 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -109.22 129.23 55.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 39.9 t80 -94.29 129.95 40.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.028 HD22 HG21 ' A' ' 3' ' ' THR . 40.5 tp -128.96 148.64 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -124.15 130.92 53.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -117.24 115.65 25.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG3' ' HE3' ' A' ' 39' ' ' MET . 0.1 OUTLIER -110.96 104.96 13.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 18.2 m-85 -96.52 155.36 37.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.25 23.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -110.76 -172.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG3' HD12 ' A' ' 81' ' ' LEU . 8.5 pt-20 -127.61 118.56 24.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -97.46 176.99 5.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.6 tt -138.31 142.75 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.56 105.37 17.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.76 -165.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.82 -33.98 75.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.579 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -63.94 -36.39 83.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 133.68 52.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.1 t -178.33 170.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.149 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.69 142.81 49.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.063 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -122.01 132.79 54.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' HD1' HD13 ' A' ' 74' ' ' ILE . 7.0 t80 -86.98 130.74 34.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -108.45 123.22 48.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.5 p -89.73 -32.3 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -27.21 33.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -133.15 5.41 3.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 51.73 32.18 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 28.1 p -109.19 162.38 14.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.495 HD11 ' CZ ' ' A' ' 26' ' ' PHE . 26.3 mm -112.96 132.11 62.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -110.97 122.74 48.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.9 t -117.28 123.59 71.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 140.0 48.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.65 HG11 HD11 ' A' ' 40' ' ' ILE . 4.9 p -142.34 135.91 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.579 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -75.12 144.6 42.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.587 ' CD ' HD23 ' A' ' 57' ' ' LEU . 27.5 tptp -101.08 146.55 27.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.759 HD12 ' HG3' ' A' ' 56' ' ' GLU . 42.0 mt -56.74 -44.28 81.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -119.5 126.28 50.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -66.8 162.44 21.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.2 18.42 9.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -88.18 131.98 34.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -109.83 177.44 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 28.8 m-85 -134.12 146.08 49.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -118.15 13.93 13.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -117.48 -18.82 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.622 HD13 ' CB ' ' A' ' 87' ' ' PHE . 10.2 mp -64.7 -19.59 65.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.56 ' C ' HD13 ' A' ' 92' ' ' LEU . 4.8 t70 -69.94 -18.62 63.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.73 HD23 ' HD2' ' A' ' 95' ' ' LYS . 0.6 OUTLIER -117.04 111.06 40.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.637 0.732 . . . . 0.0 110.94 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.2 Cg_endo -69.81 -8.38 23.46 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 49.2 p -94.29 -21.97 18.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.102 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.73 ' HD2' HD23 ' A' ' 92' ' ' LEU . 82.7 mttt -67.01 -27.33 67.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.506 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.2 mm? -79.07 -47.54 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 49' ' ' LEU . 24.1 mt -65.23 -44.27 88.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 58.74 50.41 8.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.19 155.83 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -52.12 108.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.87 23.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.9 109.8 14.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 103' ' ' LEU . 7.6 tt -63.89 -31.0 72.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -87.15 -22.36 25.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.94 78.57 2.0 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.52 -8.9 17.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.323 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -130.94 116.89 18.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -165.37 155.17 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.2 mt -133.22 135.17 44.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.4 p -151.24 106.0 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -85.98 115.78 23.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -155.66 136.18 13.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 5.7 t -152.38 138.46 18.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -135.12 153.45 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.11 127.2 36.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -78.42 106.39 10.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 37.4 mtpt -97.55 115.71 28.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 m -123.38 118.49 27.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -131.63 103.58 6.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -147.16 69.02 11.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.555 0.693 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 112.05 2.98 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.678 2.252 . . . . 0.0 112.394 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.0 mt -145.32 108.13 4.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.6 mt -106.91 130.37 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -158.61 155.69 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -135.73 144.66 46.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 32.5 t -106.1 114.93 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -101.93 104.15 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.2 p -146.85 168.23 21.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -156.04 162.35 40.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -167.75 135.33 3.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.8 p -153.89 140.49 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.8 t -126.0 169.79 12.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -133.01 170.89 14.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.6 mt -85.33 -29.93 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -55.61 144.47 54.39 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.61 0.719 . . . . 0.0 111.146 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.09 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.718 2.279 . . . . 0.0 112.316 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -153.17 154.32 34.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -169.49 137.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.9 m -124.04 138.83 54.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.446 HD11 HD22 ' A' ' 51' ' ' LEU . 8.7 mt -111.15 142.19 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -128.28 147.3 50.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.19 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.704 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -114.5 143.72 44.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.04 172.92 11.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -89.6 11.91 18.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.64 -38.5 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -161.75 -178.14 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.704 HD13 ' HA ' ' A' ' 10' ' ' GLN . 7.6 mm -106.25 141.42 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.195 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -120.79 100.53 7.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 51' ' ' LEU . 7.6 tp -93.66 123.41 36.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -110.06 137.54 47.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.525 HG22 HG23 ' A' ' 21' ' ' ILE . 2.9 mp -125.99 131.65 71.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -94.06 104.3 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.525 HG23 HG22 ' A' ' 19' ' ' ILE . 1.3 pt -131.42 -175.99 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 21' ' ' ILE . 0.9 OUTLIER -119.52 174.4 6.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -94.59 29.01 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.41 ' O ' HG13 ' A' ' 24' ' ' ILE . 11.3 pt -59.79 93.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? 50.65 37.72 17.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -64.28 112.71 3.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.575 ' O ' HD21 ' A' ' 31' ' ' LEU . 58.3 m -103.98 -172.82 2.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.09 21.94 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 29' ' ' VAL . 2.6 p -120.63 88.85 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.3 -41.07 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' ' 27' ' ' SER . 0.3 OUTLIER -50.43 108.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.789 0.328 . . . . 0.0 110.87 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -158.52 81.54 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.553 HG13 HD12 ' A' ' 44' ' ' LEU . 64.0 mt -76.75 132.15 33.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.71 144.65 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.084 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -105.26 131.86 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.449 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -75.59 -170.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -54.31 -36.56 63.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -137.08 -50.01 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.449 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 5.2 ptm -76.58 172.19 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.825 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD11 HD13 ' A' ' 57' ' ' LEU . 66.8 mt -119.63 137.32 53.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.0 mm -108.3 120.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.91 103.02 14.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -99.65 -18.46 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.87 153.91 2.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 64.46 166.03 0.11 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.5 Cg_endo -69.79 -5.14 15.51 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -110.97 128.74 55.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.561 ' OH ' HG23 ' A' ' 41' ' ' ILE . 41.3 t80 -92.98 129.91 38.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.2 tm? -128.64 143.16 50.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.716 ' N ' HD13 ' A' ' 49' ' ' LEU . 1.6 ttt180 -119.36 133.08 55.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 17' ' ' LEU . 97.3 mt -121.7 116.48 24.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -111.35 106.59 15.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.616 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.5 m-85 -96.24 156.08 37.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.675 0.75 . . . . 0.0 110.874 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -7.24 20.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -114.37 -172.57 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.693 ' CG ' HD12 ' A' ' 81' ' ' LEU . 1.4 pm0 -125.19 123.88 40.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.756 HD13 HD11 ' A' ' 40' ' ' ILE . 1.4 mt -103.19 177.87 4.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' HD21 ' A' ' 81' ' ' LEU . 14.1 tt -139.85 144.21 28.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -102.48 99.07 9.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.86 -167.95 1.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -68.58 -28.71 67.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -32.71 72.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.8 t -60.54 133.28 55.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.18 161.94 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -124.72 143.2 50.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -121.93 131.75 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' HD1' HD13 ' A' ' 74' ' ' ILE . 5.5 t80 -87.29 126.97 35.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -101.42 120.2 39.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.897 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.6 p -85.81 -49.43 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.817 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -21.97 18.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -116.61 -12.24 10.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 58.31 24.39 11.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.9 p -112.35 164.92 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.434 HD13 ' HD1' ' A' ' 67' ' ' TYR . 26.7 mm -115.13 132.51 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.171 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.17 124.56 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 31.5 t -115.83 125.53 73.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.22 141.17 45.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.68 HG11 HD11 ' A' ' 40' ' ' ILE . 4.0 p -154.14 131.01 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.08 151.94 28.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.96 -177.35 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD12 ' CG ' ' A' ' 56' ' ' GLU . 68.3 mt -96.52 -27.72 14.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.74 112.32 12.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -58.87 162.67 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 62.41 20.83 12.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -99.8 132.42 45.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -108.19 176.22 5.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.793 ' HB3' HD13 ' A' ' 90' ' ' LEU . 24.5 m-85 -130.37 154.85 47.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -115.3 -39.63 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -62.05 -25.03 67.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.793 HD13 ' HB3' ' A' ' 87' ' ' PHE . 9.8 mp -59.93 -25.02 64.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.572 ' C ' HD13 ' A' ' 92' ' ' LEU . 19.1 t0 -67.58 -27.22 66.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.762 HD23 ' HE2' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -114.78 117.89 41.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.634 0.73 . . . . 0.0 110.91 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -8.49 23.74 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -93.13 -22.69 18.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.762 ' HE2' HD23 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -65.75 -25.22 67.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -86.29 -40.77 15.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 49' ' ' LEU . 79.2 mt -71.43 -65.67 0.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 63.04 74.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.8 ptp85 -158.79 144.38 16.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -112.32 -23.98 10.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.46 105.9 1.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.445 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -130.17 109.69 11.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.84 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mt 51.81 28.73 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.8 147.09 7.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.3 -153.93 12.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.47 -8.17 53.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.819 0.343 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.53 22.31 12.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.77 179.71 7.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.072 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -150.84 176.92 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.9 m -150.04 116.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.07 -175.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -135.2 168.68 18.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 4.3 t -103.83 153.18 21.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.167 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -157.88 172.76 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -123.07 177.18 5.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -94.75 147.92 22.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 157.56 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 91.9 m -116.37 111.62 20.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.124 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -111.84 104.69 13.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -120.28 68.5 13.93 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.512 0.672 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.407 ' C ' HD12 ' A' ' 122' ' ' LEU . 53.5 Cg_endo -69.77 -178.77 2.5 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 121' ' ' PRO . 5.8 mp -136.4 111.37 8.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.1 mt -103.68 106.1 19.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.04 158.7 13.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.63 150.31 44.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.5 p -123.52 139.91 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.61 170.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.0 m -147.41 128.89 14.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -84.46 157.99 21.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -172.7 121.53 0.88 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 40.7 t -104.1 107.79 23.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 111.083 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.3 t -158.95 153.88 24.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.28 175.43 6.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 97' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 89.2 mt -99.15 -33.91 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.515 HG22 HD23 ' A' ' 49' ' ' LEU . 1.1 t -50.42 145.73 10.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -49.09 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.274 . . . . 0.0 112.386 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.14 152.81 26.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.37 144.18 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.93 139.79 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.748 HG22 HD13 ' A' ' 90' ' ' LEU . 4.4 mt -110.87 141.84 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -129.51 145.66 51.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.693 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.17 144.34 43.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -129.52 176.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -92.4 19.59 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -145.09 -41.63 0.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -155.12 -178.6 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.693 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.8 mm -105.88 141.99 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.09 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -120.46 100.7 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.676 HD23 HG12 ' A' ' 8' ' ' ILE . 1.7 tm? -96.89 123.17 40.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' N ' HD22 ' A' ' 17' ' ' LEU . 30.7 ttpt -109.8 142.9 40.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.8 mp -126.92 128.03 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -92.11 115.77 28.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.916 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.9 pt -135.51 -179.63 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -105.95 -170.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -94.59 21.08 7.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.61 -176.41 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.62 101.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 36.1 t80 -112.94 101.42 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.556 ' O ' HD13 ' A' ' 31' ' ' LEU . 9.4 m -101.81 167.04 10.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.74 22.57 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.4 p -93.11 -30.95 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.21 -20.73 19.67 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 27' ' ' SER . 6.4 mp -50.06 111.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.776 0.322 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -177.47 82.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.434 HG13 HD12 ' A' ' 44' ' ' LEU . 83.8 mt -86.45 132.65 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -125.37 155.42 34.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.62 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -114.45 128.93 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.48 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 21.3 mm100 -74.55 -173.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.935 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -50.41 -36.24 32.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -138.78 -51.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.48 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 2.5 ptm -75.12 170.07 16.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD13 ' A' ' 57' ' ' LEU . 56.7 mt -119.54 138.26 50.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.532 HG23 ' OH ' ' A' ' 48' ' ' TYR . 49.7 mm -108.59 119.82 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -98.43 104.6 16.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -100.59 -18.95 16.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.434 HD12 HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -51.71 158.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.414 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 60.96 165.92 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.616 0.722 . . . . 0.0 110.893 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.77 -5.31 15.9 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.23 . . . . 0.0 112.337 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -111.43 129.32 56.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.8 t80 -92.84 130.11 38.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 50' ' ' ARG . 2.7 tm? -129.14 143.26 50.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.754 ' N ' HD13 ' A' ' 49' ' ' LEU . 22.9 ttp180 -122.71 129.28 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.6 mt -117.33 128.45 55.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HD3' ' HE3' ' A' ' 39' ' ' MET . 6.9 tpt180 -120.5 106.56 11.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.604 ' HD2' HD11 ' A' ' 57' ' ' LEU . 13.9 m-85 -96.43 156.56 36.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.4 Cg_endo -69.78 -6.51 18.79 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -113.53 -171.08 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.791 ' HG3' HD12 ' A' ' 81' ' ' LEU . 7.9 pt-20 -128.01 122.09 31.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.794 HD13 HD11 ' A' ' 40' ' ' ILE . 1.0 OUTLIER -101.76 -176.16 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 tt -147.14 144.27 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.406 ' HB2' ' HB ' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -104.09 107.43 18.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.46 -166.98 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.96 -36.44 83.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -32.06 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -51.1 132.92 28.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -178.13 166.37 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.17 143.06 47.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -121.97 133.42 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.8 t80 -86.38 126.69 34.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.95 121.62 44.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -86.39 -36.85 18.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.3 -30.44 18.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -124.54 -3.09 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 57.96 27.45 14.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.0 p -111.67 156.29 22.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 29.4 mm -103.59 134.14 45.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -108.91 122.32 46.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.1 t -117.2 124.99 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 140.61 45.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.669 HG11 HD11 ' A' ' 40' ' ' ILE . 4.2 p -142.16 132.46 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.3 143.26 50.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -98.28 144.35 27.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.791 HD12 ' HG3' ' A' ' 56' ' ' GLU . 31.5 mt -55.76 -35.06 65.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -130.61 136.47 48.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -72.3 161.87 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.03 21.51 11.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -95.53 135.97 36.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -121.96 -174.98 3.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.669 ' CE1' HD11 ' A' ' 15' ' ' ILE . 25.2 m-85 -133.96 161.4 34.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -129.19 9.03 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.403 ' CG ' ' HD3' ' A' ' 54' ' ' PRO . 6.3 p-10 -109.62 -30.2 8.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.748 HD13 HG22 ' A' ' 8' ' ' ILE . 16.8 mt -52.32 -26.66 12.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.657 ' C ' HD13 ' A' ' 92' ' ' LEU . 10.5 m-20 -57.49 -24.19 54.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.657 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -118.06 119.61 33.34 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.623 0.725 . . . . 0.0 110.9 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.591 ' O ' HD23 ' A' ' 97' ' ' LEU . 54.2 Cg_endo -69.74 -7.85 22.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.729 2.286 . . . . 0.0 112.339 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.6 p -94.24 -28.81 15.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.567 ' HG3' HD23 ' A' ' 92' ' ' LEU . 13.6 mmtm -56.78 -23.51 43.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.493 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -90.05 -43.53 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 93' ' ' PRO . 4.1 mm? -63.22 -30.84 71.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.23 114.3 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.55 177.73 6.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -160.36 158.8 30.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.57 -58.41 3.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.538 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.23 106.56 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.4 tp -110.24 -26.03 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.39 153.29 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.45 91.72 0.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.482 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -80.57 111.42 16.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 62.95 19.41 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -78.75 134.12 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.061 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 109' ' ' LEU . 4.5 pp -153.3 150.8 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -150.04 111.54 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -125.74 151.51 46.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -154.0 140.08 18.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.2 m -110.0 161.23 15.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -122.6 176.51 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.18 176.95 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -73.05 107.31 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -147.35 154.6 41.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.4 t -56.97 158.51 4.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -139.91 106.87 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -155.01 69.4 5.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.572 0.701 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.93 25.92 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.707 2.272 . . . . 0.0 112.368 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 30.8 tp -152.9 105.71 2.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 34.3 mt -139.11 117.12 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.22 165.3 12.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -132.98 134.27 44.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.3 t -108.24 106.11 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -55.04 147.57 15.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.4 p -115.14 106.9 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.05 152.53 16.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -153.7 131.58 3.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.96 117.34 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -120.94 149.91 41.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -113.66 121.05 42.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 60.0 mt -86.41 -32.85 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.909 0.385 . . . . 0.0 111.123 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.807 HG21 HD22 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -50.33 146.84 8.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.59 0.71 . . . . 0.0 111.123 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -50.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -160.19 161.8 33.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -171.68 147.46 2.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.13 139.0 54.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.698 HG21 HD22 ' A' ' 90' ' ' LEU . 11.8 mt -111.15 142.71 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.0 m -128.27 146.63 50.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.592 ' HA ' HD13 ' A' ' 15' ' ' ILE . 3.3 mp0 -111.0 144.21 40.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.57 168.4 18.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -86.79 7.61 26.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 -34.21 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -168.87 -174.49 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.732 HD11 ' CE1' ' A' ' 87' ' ' PHE . 6.9 mm -106.16 142.69 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -124.55 99.9 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 8' ' ' ILE . 6.8 tp -94.39 123.78 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -110.1 136.39 49.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.15 145.0 30.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -104.67 131.92 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 pt -140.71 173.2 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.2 22.5 12.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 51.64 50.95 17.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.24 114.69 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 60.31 32.53 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -73.67 102.65 4.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.488 ' O ' HD21 ' A' ' 31' ' ' LEU . 34.4 p -99.51 173.68 6.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.76 23.74 10.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' ' 29' ' ' VAL . 11.6 p -120.5 -10.32 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.79 -6.4 21.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.479 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 27' ' ' SER . 3.9 mt -73.8 117.1 15.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -176.22 82.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 76.2 mt -79.75 131.38 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.136 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.15 152.73 33.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.504 HG23 HG12 ' A' ' 40' ' ' ILE . 3.1 mp -110.18 129.1 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.58 -170.01 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -51.81 -33.93 37.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -142.69 -50.2 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.408 ' HE3' ' HG2' ' A' ' 52' ' ' ARG . 3.0 ptm -74.64 173.5 10.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.703 HD11 HD13 ' A' ' 57' ' ' LEU . 65.3 mt -119.44 136.37 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.486 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -108.26 120.7 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -98.39 106.24 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -104.86 -18.4 14.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 45' ' ' SER . 0.8 OUTLIER -54.26 156.92 2.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.549 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER 63.3 166.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.3 Cg_endo -69.77 -5.58 16.54 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -111.78 128.51 56.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.0 t80 -94.64 131.61 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.807 HD22 HG21 ' A' ' 3' ' ' THR . 23.6 tp -129.13 146.68 51.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.941 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.11 125.31 46.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 17' ' ' LEU . 83.8 mt -113.68 125.42 54.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.408 ' HG2' ' HE3' ' A' ' 39' ' ' MET . 3.2 tmt_? -118.19 106.24 12.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.638 ' HD2' HD11 ' A' ' 57' ' ' LEU . 12.9 m-30 -95.61 155.67 38.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.81 -12.24 32.41 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.644 2.23 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -109.95 -172.04 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.781 ' HG3' HD12 ' A' ' 81' ' ' LEU . 5.5 pt-20 -125.22 121.19 33.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 40' ' ' ILE . 1.2 mt -100.02 -178.92 3.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -141.26 144.86 25.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.14 103.57 12.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.12 -167.92 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.18 -25.01 67.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' O ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -71.87 -35.27 69.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.88 131.67 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 62' ' ' ARG . 9.9 t -179.8 167.17 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -134.65 142.77 46.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -121.9 132.1 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.885 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.482 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -86.68 126.93 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -105.75 121.89 44.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.3 t -86.78 -34.03 19.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -31.68 30.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -125.44 -0.23 7.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 56.81 28.49 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 81.2 m -111.54 156.84 21.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.482 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.7 mm -105.22 134.1 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -108.78 121.91 46.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.3 t -117.69 127.06 75.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.23 140.23 45.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.656 HG21 HD13 ' A' ' 40' ' ' ILE . 21.9 t -140.03 133.24 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -79.9 133.31 36.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.524 ' HG2' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -88.54 150.94 22.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.781 HD12 ' HG3' ' A' ' 56' ' ' GLU . 37.0 mt -67.36 -27.35 67.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -137.04 129.31 29.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -66.99 162.81 21.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.11 20.55 9.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -91.64 127.78 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -108.62 174.36 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.732 ' CE1' HD11 ' A' ' 15' ' ' ILE . 20.8 m-85 -133.15 169.26 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -129.27 -38.6 1.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.6 -20.85 62.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.698 HD22 HG21 ' A' ' 8' ' ' ILE . 18.2 mt -62.33 -16.22 52.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.468 ' O ' HD23 ' A' ' 92' ' ' LEU . 6.5 m-20 -89.97 13.59 14.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 91' ' ' ASP . 1.6 mt -141.56 102.58 5.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -6.31 18.28 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.9 p -98.1 -7.23 30.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -87.25 -36.0 18.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.5 mm? -74.06 -34.47 64.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 mp -69.05 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.979 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.55 30.59 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.22 174.14 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -110.35 27.97 9.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.71 77.94 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.44 ' OD2' ' HB3' ' A' ' 104' ' ' ALA . 10.7 t70 -93.65 102.43 14.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.483 ' H ' HD23 ' A' ' 103' ' ' LEU . 1.4 pt? -60.07 -25.37 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' OD2' ' A' ' 102' ' ' ASP . . . -74.77 149.92 39.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.51 38.48 17.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.17 104.14 12.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.741 0.305 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -126.33 130.79 51.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -107.92 131.98 53.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.67 113.2 3.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 t -152.5 115.65 4.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.448 ' O ' HG22 ' A' ' 113' ' ' THR . 18.0 tt0 -70.97 144.11 50.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -55.78 104.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 111' ' ' GLU . 13.9 t -166.44 158.38 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.56 106.43 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -156.28 174.97 14.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -117.99 147.77 42.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -150.24 153.85 36.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.0 p -53.47 171.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -58.53 101.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -163.74 71.05 1.78 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 169.87 17.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.362 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 29.3 mt -142.52 126.84 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.0 mt -119.11 127.0 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -158.93 161.03 36.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -101.35 124.85 47.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 15.4 m -121.48 167.23 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -116.7 155.05 29.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 82.4 p -89.87 176.94 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.136 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -162.38 170.41 18.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 166.79 149.98 6.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.13 160.37 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.102 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -85.14 -56.71 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -162.55 177.81 9.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 17.8 p30 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' N ' HD22 ' A' ' 109' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 47' ' ' TYR . 98.9 mt -82.62 -33.2 10.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 111.119 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.606 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.7 t -56.81 144.91 65.19 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -48.9 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 146.37 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -162.6 133.26 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.62 50.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.756 HG12 HD23 ' A' ' 17' ' ' LEU . 2.4 mt -112.33 143.22 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.5 m -127.88 145.91 50.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.673 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -114.01 144.46 43.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.87 172.43 12.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -87.92 8.41 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.64 -36.67 1.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -166.89 -179.12 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 87' ' ' PHE . 7.9 mm -100.29 141.64 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -123.22 96.96 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.756 HD23 HG12 ' A' ' 8' ' ' ILE . 1.1 tm? -97.64 123.47 41.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.685 ' N ' HD22 ' A' ' 17' ' ' LEU . 2.1 ptpt -109.77 138.5 46.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.937 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD11 ' CD1' ' A' ' 17' ' ' LEU . 2.3 mp -119.65 119.5 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -79.28 99.76 7.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.32 162.99 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.1 m -91.3 -176.56 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -91.36 18.01 7.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -55.77 -179.4 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.9 mtm-85 -50.47 103.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.626 ' CZ ' HD21 ' A' ' 31' ' ' LEU . 58.3 t80 -112.55 97.74 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.926 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.482 ' HB3' HG22 ' A' ' 29' ' ' VAL . 66.5 m -98.14 157.62 16.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.8 19.5 7.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' A' ' 27' ' ' SER . 5.8 m -103.12 76.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 151.22 -22.97 0.97 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.424 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.626 HD21 ' CZ ' ' A' ' 26' ' ' PHE . 6.3 mp -55.39 100.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.777 0.323 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -165.97 68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 84.1 mt -68.47 131.98 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.97 153.9 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 mp -111.81 129.63 66.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.46 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 3.0 mm-40 -73.27 -172.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -50.29 -37.33 35.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -139.36 -49.88 0.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.46 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.2 ptm -74.9 167.96 20.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.615 HD11 HD13 ' A' ' 57' ' ' LEU . 60.1 mt -110.42 136.85 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.59 HG23 ' OH ' ' A' ' 48' ' ' TYR . 41.9 mm -108.33 119.73 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -100.05 105.59 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -103.42 -20.49 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD23 ' N ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -51.52 154.35 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.567 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 61.12 167.01 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.695 0.759 . . . . 0.0 110.832 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.71 -5.72 16.84 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 5.7 m-85 -108.84 128.58 55.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.59 ' OH ' HG23 ' A' ' 41' ' ' ILE . 60.2 t80 -94.07 133.82 37.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' CD1' HG21 ' A' ' 3' ' ' THR . 0.7 OUTLIER -126.16 142.83 51.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' H ' HD23 ' A' ' 49' ' ' LEU . 3.7 tpp85 -123.42 113.42 18.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 8' ' ' ILE . 75.1 mt -105.38 122.33 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -114.65 105.62 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HE1' HD22 ' A' ' 96' ' ' LEU . 12.9 m-30 -96.16 155.54 38.04 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 54.3 Cg_endo -69.69 -8.02 22.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.251 . . . . 0.0 112.393 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -113.96 -172.75 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.704 ' HG3' HD12 ' A' ' 81' ' ' LEU . 9.0 pt-20 -123.45 121.67 36.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.615 HD13 HD11 ' A' ' 40' ' ' ILE . 3.8 mt -100.09 176.73 5.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.1 tt -140.86 144.61 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -103.93 106.38 16.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.22 -167.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.53 -25.86 63.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -34.96 70.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 m -59.49 133.0 55.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -172.23 162.1 5.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.66 143.14 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.67 131.23 53.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.424 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.6 t80 -88.47 126.99 35.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -101.59 121.63 42.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.4 t -87.44 -44.51 11.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.84 -19.63 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -123.69 -5.93 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.854 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 52.44 28.43 5.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 14.9 t -112.84 155.51 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.424 HD13 ' HD1' ' A' ' 67' ' ' TYR . 27.9 mm -109.78 131.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -111.31 124.3 51.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -116.53 125.96 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.75 140.6 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 40' ' ' ILE . 47.2 t -144.67 128.4 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.51 136.0 35.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -93.69 141.96 27.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' HG3' ' A' ' 56' ' ' GLU . 52.9 mt -51.63 -30.75 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.01 125.36 33.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -67.85 163.0 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 61.09 19.71 10.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -98.19 131.9 44.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -109.81 -177.38 3.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 15' ' ' ILE . 19.3 m-85 -132.78 160.67 36.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -130.33 14.57 5.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.33 -17.98 10.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.6 mt -65.35 -13.54 58.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.431 ' O ' HD13 ' A' ' 92' ' ' LEU . 31.8 m-20 -82.07 -9.96 59.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.639 HD23 ' HD2' ' A' ' 95' ' ' LYS . 1.4 mm? -116.88 107.57 45.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.613 0.721 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -7.34 20.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.9 p -100.44 -29.94 12.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.639 ' HD2' HD23 ' A' ' 92' ' ' LEU . 84.7 mttt -66.09 -24.74 66.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.692 HD13 HD11 ' A' ' 8' ' ' ILE . 1.5 mt -84.85 -44.03 13.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.28 -26.41 61.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.66 73.25 8.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.63 17.96 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.07 -172.14 3.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -153.71 -47.77 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.08 24.87 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.29 74.16 3.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -110.11 136.31 49.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -149.07 -144.97 4.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -108.3 -9.66 15.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.758 0.313 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -125.19 139.18 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -110.82 28.16 8.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 1' ' ' GLY . 3.9 mp 50.55 47.54 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.16 105.93 8.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -95.43 139.86 31.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.21 114.78 10.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.8 t -156.97 162.08 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -123.84 172.1 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -165.6 157.05 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -119.27 108.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -158.48 149.66 20.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.1 m -88.58 111.68 22.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -155.94 107.66 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 7.4 ptpp? -120.54 68.32 14.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.547 0.689 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -172.49 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.682 2.254 . . . . 0.0 112.385 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.0 tt -133.09 102.93 5.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 52.1 mt -138.8 121.21 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -148.34 112.07 5.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -155.04 166.63 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.5 t -119.34 102.66 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -136.36 164.98 26.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.3 m -158.5 154.77 27.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.145 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -118.64 164.69 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -134.18 -152.31 6.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.47 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 9.2 p -145.07 135.95 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 111.115 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 m -106.52 173.47 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.6 p30 -122.32 160.74 24.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 4.4 m120 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.631 ' HA2' HD12 ' A' ' 49' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.9 mt -133.77 116.14 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 111.166 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.787 HG21 HD22 ' A' ' 49' ' ' LEU . 0.5 OUTLIER 172.83 146.04 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.599 0.714 . . . . 0.0 111.112 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -51.19 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.647 2.232 . . . . 0.0 112.361 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -159.07 148.52 18.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -163.88 138.55 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 m -124.12 144.03 50.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.751 HG12 HD23 ' A' ' 17' ' ' LEU . 2.3 mt -112.25 142.8 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.29 145.96 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.709 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -113.35 144.79 42.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -132.05 174.61 10.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.46 8.29 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -129.99 -37.45 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -164.8 -175.3 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 10' ' ' GLN . 6.3 mm -105.09 141.32 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -123.66 101.53 7.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD23 HG12 ' A' ' 8' ' ' ILE . 1.2 tm? -99.54 123.63 43.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.666 ' N ' HD22 ' A' ' 17' ' ' LEU . 7.0 ptpt -109.99 141.41 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.46 HD11 ' CD1' ' A' ' 17' ' ' LEU . 1.9 mp -123.73 128.58 74.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -90.82 118.93 30.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 pt -150.99 173.47 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 m -118.84 -176.68 3.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -85.15 6.45 25.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.786 HD12 ' HG2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -51.43 -42.41 28.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.786 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -141.16 100.35 3.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.531 ' CE1' HD11 ' A' ' 74' ' ' ILE . 3.9 t80 -155.68 93.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.465 ' HB2' HG22 ' A' ' 29' ' ' VAL . 49.2 m -95.36 -17.12 21.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.85 25.07 14.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 27' ' ' SER . 25.4 m -117.62 5.06 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.65 6.1 3.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mt -69.4 114.58 7.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -165.97 85.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 41' ' ' ILE . 86.3 mt -90.59 130.79 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -126.42 152.89 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.589 HG23 HG12 ' A' ' 40' ' ' ILE . 2.8 mp -106.21 130.34 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.16 -172.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -50.07 -35.14 24.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -140.96 -51.23 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 4.3 ptm -75.52 173.88 10.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.744 HD11 HD13 ' A' ' 57' ' ' LEU . 36.2 mt -119.66 138.41 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.575 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.74 119.7 57.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -98.62 103.93 15.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -101.42 -18.07 16.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.768 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.87 152.75 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.45 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 61.75 167.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.667 0.746 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.79 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.321 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -108.97 128.54 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' OH ' HG23 ' A' ' 41' ' ' ILE . 42.3 t80 -95.39 129.81 42.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.787 HD22 HG21 ' A' ' 3' ' ' THR . 44.6 tp -128.66 147.98 50.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -121.84 130.82 53.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD22 ' HG ' ' A' ' 96' ' ' LEU . 56.5 mt -116.84 110.53 18.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -105.3 104.75 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' HD2' HD11 ' A' ' 57' ' ' LEU . 15.3 m-30 -96.12 155.22 38.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.6 Cg_endo -69.78 -8.23 23.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -113.97 -174.08 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.745 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -124.75 118.18 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.784 HD23 ' HD2' ' A' ' 80' ' ' LYS . 1.8 mt -95.15 -175.32 3.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.3 tt -144.1 143.18 23.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.07 103.35 13.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.27 -167.46 1.32 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.54 -32.0 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -35.97 77.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 64.9 m -64.29 132.0 48.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 t -178.49 163.69 1.58 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -126.61 142.01 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -123.46 149.51 45.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.449 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.2 t80 -87.92 127.35 35.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -102.31 118.24 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.8 p -87.75 -32.48 19.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -28.82 24.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -132.31 6.7 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.31 28.63 7.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 p -109.07 168.33 9.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.531 HD11 ' CE1' ' A' ' 26' ' ' PHE . 21.4 mm -115.96 132.57 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -110.46 125.01 52.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -114.39 125.96 71.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.89 140.35 45.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.73 HG11 HD11 ' A' ' 40' ' ' ILE . 3.1 p -149.57 127.86 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.76 149.22 47.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' HD2' HD23 ' A' ' 57' ' ' LEU . 5.6 tptm -107.41 140.61 40.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.745 HD12 ' HG3' ' A' ' 56' ' ' GLU . 51.6 mt -51.69 -48.0 63.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -110.6 118.69 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -66.32 158.59 28.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.29 16.26 9.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -92.05 139.12 30.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -113.68 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.689 ' CE1' HD11 ' A' ' 15' ' ' ILE . 26.6 m-85 -134.08 161.12 35.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -128.52 10.46 6.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.06 -26.27 6.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.649 HD22 HG21 ' A' ' 8' ' ' ILE . 80.2 mt -57.32 -23.74 50.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.54 ' C ' HD13 ' A' ' 92' ' ' LEU . 77.6 m-20 -65.33 -22.73 66.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 91' ' ' ASP . 0.6 OUTLIER -114.83 113.71 44.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.643 0.735 . . . . 0.0 110.917 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -9.25 25.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.4 p -92.85 -18.06 23.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -71.31 -22.15 61.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.489 ' H ' HD22 ' A' ' 96' ' ' LEU . 1.2 mm? -85.57 -48.57 8.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' HD11 ' A' ' 49' ' ' LEU . 11.4 mt -71.5 -57.61 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 64.64 62.04 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -156.44 179.14 9.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.15 123.32 45.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -140.74 10.38 2.88 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.33 54.44 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.915 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.648 ' N ' HD13 ' A' ' 103' ' ' LEU . 0.0 OUTLIER -124.63 -1.1 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.478 ' N ' HD22 ' A' ' 103' ' ' LEU . . . -58.74 137.8 57.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.34 -105.94 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.39 103.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -105.64 172.19 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -95.63 175.37 6.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.4 pp -163.69 169.22 18.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 p -141.72 104.5 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -129.28 177.42 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -53.22 167.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.8 t -57.2 138.7 54.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -168.02 174.33 7.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.24 143.7 17.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -107.27 155.1 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -54.37 166.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 44.9 p -98.81 112.43 24.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -138.02 109.3 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -131.42 68.36 81.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.621 0.724 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -172.35 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.663 2.242 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 120.98 23.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.0 mt -110.38 123.6 66.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.27 177.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -125.67 132.98 52.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.7 p -140.58 142.13 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -83.75 115.88 22.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 10.0 m -81.93 138.88 34.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -94.71 150.18 20.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -139.91 97.4 0.23 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.93 106.36 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.146 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.7 p -119.13 157.17 28.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.845 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -131.85 174.54 10.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.9 mt -133.2 119.12 34.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 0.0 111.141 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.809 HG21 HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER 171.37 146.24 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.138 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 53.9 Cg_endo -69.78 -81.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.284 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 3.2 mpt_? -138.39 148.76 44.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -162.04 145.35 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.44 140.11 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.746 HG21 HD22 ' A' ' 90' ' ' LEU . 9.8 mt -108.51 141.51 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -129.1 147.21 50.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.721 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -116.89 144.13 44.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -128.02 178.86 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -94.33 29.04 2.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -155.14 -40.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -155.96 178.61 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.721 HD13 ' HA ' ' A' ' 10' ' ' GLN . 4.7 mm -106.43 141.95 20.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -122.6 106.32 10.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 51' ' ' LEU . 8.9 tp -97.85 124.99 42.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.28 134.19 52.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.2 mp -130.03 132.63 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -97.07 134.64 40.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.9 pt -151.39 148.27 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -70.53 -173.94 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -94.47 20.53 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -56.42 -179.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -52.34 102.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -121.39 110.65 16.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.3 t -105.72 -177.88 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.58 24.32 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.3 t -92.12 -28.3 4.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -99.41 -18.03 24.92 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 mp -52.37 109.44 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -175.17 67.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.426 HG13 HD12 ' A' ' 44' ' ' LEU . 78.9 mt -70.99 132.48 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -125.73 155.73 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.584 HG23 HG12 ' A' ' 40' ' ' ILE . 2.6 mp -114.81 132.12 64.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.43 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 1.1 mm-40 -76.58 -172.37 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.6 -37.18 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -137.68 -51.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 4.2 ptm -75.31 171.5 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.778 HD11 HD13 ' A' ' 57' ' ' LEU . 91.1 mt -118.2 138.61 48.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.173 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG23 ' OH ' ' A' ' 48' ' ' TYR . 48.7 mm -107.95 120.37 59.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -98.85 105.3 17.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -102.71 -18.86 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD12 HG13 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -51.13 154.99 1.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 63.37 166.42 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.652 0.739 . . . . 0.0 110.864 -179.893 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.81 -4.97 15.14 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.343 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -111.37 128.75 56.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' OH ' HG23 ' A' ' 41' ' ' ILE . 40.5 t80 -93.25 131.31 38.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.914 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.809 HD22 HG21 ' A' ' 3' ' ' THR . 53.3 tp -129.13 148.49 51.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -122.65 130.21 52.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.599 ' CD1' HD22 ' A' ' 17' ' ' LEU . 71.5 mt -116.66 114.67 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.04 103.89 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.9 m-30 -95.78 155.06 38.88 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.5 Cg_endo -69.75 -8.03 22.55 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -112.91 -173.24 2.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.669 ' CG ' HD12 ' A' ' 81' ' ' LEU . 0.9 OUTLIER -124.28 124.32 42.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.778 HD13 HD11 ' A' ' 40' ' ' ILE . 4.0 mt -106.36 173.09 6.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' HB ' HD21 ' A' ' 81' ' ' LEU . 11.1 tt -136.02 144.4 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.43 105.59 17.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.86 -168.92 1.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -68.53 -25.51 64.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -28.86 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 p -66.4 132.45 48.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.5 t -179.17 161.12 1.09 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.135 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.28 51.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -123.03 148.54 45.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.0 t80 -87.55 127.25 35.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.22 114.41 28.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.4 p -85.0 -30.38 24.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.82 54.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -132.83 6.02 3.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 53.66 26.99 6.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.87 168.97 8.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.438 HD13 ' HD1' ' A' ' 67' ' ' TYR . 21.6 mm -117.21 132.85 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -109.84 124.5 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.1 t -114.46 125.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.27 139.23 46.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG11 HD11 ' A' ' 40' ' ' ILE . 4.1 p -148.76 135.0 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.146 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.75 147.55 30.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.6 172.02 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.669 HD12 ' CG ' ' A' ' 56' ' ' GLU . 55.9 mt -86.73 -34.62 19.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.76 117.13 23.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -63.8 161.25 15.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.95 17.33 9.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -98.05 144.09 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 9.1 p90 -119.3 -174.06 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.682 ' CE1' HD11 ' A' ' 15' ' ' ILE . 21.5 m-85 -132.77 159.53 39.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.2 22.14 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.08 24.53 1.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.746 HD22 HG21 ' A' ' 8' ' ' ILE . 61.1 mt -101.87 -3.95 27.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' C ' HD13 ' A' ' 92' ' ' LEU . 6.0 m-20 -92.4 -15.21 27.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -108.07 102.78 47.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.637 0.732 . . . . 0.0 110.905 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.76 -7.71 21.76 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.353 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.9 p -99.25 -19.94 16.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -67.61 -40.91 84.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.571 ' H ' HD22 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -66.32 -52.13 50.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.607 HD23 ' HD3' ' A' ' 99' ' ' ARG . 8.6 mp -54.17 -39.76 66.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . 51.5 46.34 26.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.607 ' HD3' HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -132.51 149.53 52.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -70.89 152.52 43.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 155.3 -130.18 2.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -78.96 108.68 12.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 19.9 mt -87.68 -37.11 17.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -97.68 111.15 23.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 149.96 142.14 3.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 52.17 34.29 14.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -106.73 166.62 10.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -152.36 166.35 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.32 135.75 39.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.17 113.65 6.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -76.81 108.98 10.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -127.68 121.14 29.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.8 t -86.39 142.32 28.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -131.91 162.91 29.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -98.32 176.87 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -150.28 174.29 13.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -107.45 170.51 7.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -102.4 162.44 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -127.44 105.88 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.47 69.01 78.57 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.68 3.07 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.342 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.481 HD13 ' N ' ' A' ' 123' ' ' ILE . 0.3 OUTLIER -144.17 124.12 13.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.481 ' N ' HD13 ' A' ' 122' ' ' LEU . 65.6 mt -126.2 111.91 28.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -106.04 16.18 25.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -77.96 130.11 36.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 t -109.42 53.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.25 22.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 13.2 t -86.64 137.16 32.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -115.43 146.43 41.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -144.35 77.94 0.27 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 10.9 p -52.12 143.63 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.105 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 21.1 t -87.13 176.48 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -78.56 -63.64 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.3 mt -78.6 -51.29 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 111.138 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.575 HG21 ' CD1' ' A' ' 49' ' ' LEU . 1.1 t -50.93 146.36 10.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.537 0.684 . . . . 0.0 111.194 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.416 ' HG2' ' H ' ' A' ' 5' ' ' ARG . 54.1 Cg_endo -69.68 -83.49 0.01 OUTLIER 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 4' ' ' PRO . 1.4 mpp_? -135.34 162.02 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -164.88 147.83 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.9 139.12 54.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.789 HG21 HD22 ' A' ' 90' ' ' LEU . 12.8 mt -111.7 142.86 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -128.23 146.64 50.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.79 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -115.0 144.38 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -131.2 175.15 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.0 pm0 -89.85 12.6 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -135.54 -39.81 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -160.83 177.62 10.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 10' ' ' GLN . 5.1 mm -102.78 141.32 18.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -120.02 101.9 8.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.589 HD22 HD12 ' A' ' 51' ' ' LEU . 5.3 tp -95.32 123.21 38.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -110.49 135.46 51.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -124.49 133.91 68.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -92.26 119.66 32.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 pt -150.95 -175.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -120.55 176.63 5.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -93.85 20.61 7.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -53.08 99.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? 49.26 31.66 3.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -60.3 106.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.2 m -111.73 162.33 15.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.66 24.67 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 29' ' ' VAL . 4.6 m -108.78 90.55 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.01 -25.55 4.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.499 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD22 ' CD2' ' A' ' 44' ' ' LEU . 10.0 mt -57.84 110.31 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.828 0.346 . . . . 0.0 110.937 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -166.76 89.09 0.35 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -82.36 131.88 32.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.39 145.05 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG23 HG12 ' A' ' 40' ' ' ILE . 2.7 mp -103.98 130.04 55.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.3 OUTLIER -74.62 -169.0 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -55.02 -35.85 64.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -139.16 -49.27 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.407 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 3.3 ptm -76.62 170.91 15.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 57' ' ' LEU . 71.5 mt -116.36 132.92 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG23 ' OH ' ' A' ' 48' ' ' TYR . 44.8 mm -104.0 120.28 53.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -100.2 104.38 15.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -102.33 -18.4 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.561 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -54.1 153.72 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.433 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER 62.64 166.75 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.433 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.2 Cg_endo -69.76 -5.1 15.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.4 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -109.46 129.46 55.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.603 ' OH ' HG23 ' A' ' 41' ' ' ILE . 67.2 t80 -94.25 134.41 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.613 HD23 ' H ' ' A' ' 50' ' ' ARG . 0.8 OUTLIER -128.74 143.75 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.613 ' H ' HD23 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.55 113.01 16.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD22 HD13 ' A' ' 96' ' ' LEU . 70.3 mt -103.75 119.38 38.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.78 97.1 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.655 ' HD2' HD11 ' A' ' 57' ' ' LEU . 14.9 m-30 -85.68 156.77 58.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.3 Cg_endo -69.74 -6.83 19.52 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -117.4 -173.65 2.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.782 ' HG3' HD12 ' A' ' 81' ' ' LEU . 6.6 pt-20 -121.59 123.11 41.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 40' ' ' ILE . 1.3 mt -100.31 172.9 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.0 tt -134.97 142.37 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -99.59 98.7 9.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -108.22 -167.28 1.22 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -71.55 -25.59 62.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -32.34 63.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 t -64.26 132.56 50.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.5 t -176.22 161.03 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.173 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -121.84 141.78 50.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -123.49 136.78 54.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.491 ' HD1' HD13 ' A' ' 74' ' ' ILE . 6.4 t80 -86.45 127.3 34.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -104.75 118.51 36.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 62.4 p -86.35 -38.41 17.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -30.14 22.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -119.74 -8.4 9.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 62.94 25.04 14.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 19.6 p -109.94 169.12 8.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.491 HD13 ' HD1' ' A' ' 67' ' ' TYR . 28.0 mm -115.68 133.28 62.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -109.79 124.84 51.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.1 t -115.49 127.62 73.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -111.34 141.17 45.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.655 HG11 HD11 ' A' ' 40' ' ' ILE . 3.6 p -155.65 127.34 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.35 150.39 28.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HG3' HD23 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -96.27 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.782 HD12 ' HG3' ' A' ' 56' ' ' GLU . 50.7 mt -80.14 -17.01 53.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.69 123.09 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -65.29 163.8 14.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.58 18.72 8.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.841 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -95.76 140.28 30.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -117.88 -177.35 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CE1' HD11 ' A' ' 15' ' ' ILE . 29.9 m-85 -134.94 163.47 29.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.11 14.94 4.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -136.18 26.66 3.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD22 HG21 ' A' ' 8' ' ' ILE . 56.9 mt -99.88 7.4 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -117.79 15.13 14.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 1.0 OUTLIER -129.42 99.85 20.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.694 . . . . 0.0 110.891 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.4 Cg_endo -69.85 -6.83 19.57 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.642 2.228 . . . . 0.0 112.282 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 p -94.39 -36.72 11.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 92' ' ' LEU . 5.7 mptp? -65.19 -39.58 93.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.872 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 HD22 ' A' ' 51' ' ' LEU . 5.6 mt -70.78 -43.08 69.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.16 -43.55 86.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.56 147.21 8.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.069 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -118.84 138.01 53.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -121.07 141.91 50.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.64 147.4 50.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.63 117.63 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 103' ' ' LEU . 1.1 pt? -113.31 -25.92 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.44 151.89 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -135.92 -122.51 2.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.19 103.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -83.69 162.52 20.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -98.99 159.48 14.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 2.5 pp -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.7 m -155.47 110.02 2.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -78.04 149.43 33.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -93.4 163.73 13.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.3 m -145.02 129.13 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.45 125.21 27.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.09 168.39 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.68 148.85 28.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.38 136.79 38.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 15.2 m -70.38 109.88 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -77.71 102.71 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 5.8 ptmm? -122.89 68.86 35.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.28 6.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.9 tp -133.97 121.39 21.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.1 mt -109.33 123.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -66.09 135.64 54.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -95.35 151.67 19.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 126' ' ' VAL . 9.8 p -96.81 30.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -112.67 27.39 9.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 t -128.88 26.02 5.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.23 -45.83 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.63 126.19 2.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 18.5 m -103.25 151.72 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.354 . . . . 0.0 111.111 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.3 t -62.68 171.15 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -93.52 -58.46 2.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.6 117.34 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 111.102 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 174.57 145.63 0.22 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.539 0.685 . . . . 0.0 111.179 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -50.43 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.53 144.61 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -161.01 133.22 5.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.43 138.17 54.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.651 HG12 HD13 ' A' ' 17' ' ' LEU . 11.0 mt -111.72 143.23 21.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 146.51 50.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.69 ' HA ' HD13 ' A' ' 15' ' ' ILE . 0.3 OUTLIER -108.92 143.87 37.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.21 169.39 16.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -86.33 6.84 28.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -126.7 -36.44 2.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -167.53 -176.52 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 HD21 ' A' ' 90' ' ' LEU . 5.6 mm -105.11 141.76 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -124.76 110.58 14.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD13 HG12 ' A' ' 8' ' ' ILE . 3.4 tp -101.44 124.72 47.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HD12 ' A' ' 17' ' ' LEU . 21.1 ttpt -109.5 139.14 44.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mp -127.81 124.17 62.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -88.5 135.07 33.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.2 pt -150.71 173.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 m -127.6 15.96 7.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER 58.1 26.94 14.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.764 HD12 ' HG2' ' A' ' 25' ' ' ARG . 0.9 OUTLIER -63.96 -37.8 80.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.764 ' HG2' HD12 ' A' ' 24' ' ' ILE . 0.6 OUTLIER -141.12 38.93 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 23' ' ' ASN . 3.9 t80 -88.1 101.1 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 29' ' ' VAL . 15.9 m -81.02 -27.46 35.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HA ' HD11 ' A' ' 31' ' ' LEU . . . 59.72 27.75 17.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 27' ' ' SER . 45.8 t -119.94 -26.92 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.36 17.13 34.45 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.743 HD22 ' CD2' ' A' ' 44' ' ' LEU . 8.9 mt -67.1 122.39 17.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.766 0.317 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.8 tt0 -174.58 88.6 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 44' ' ' LEU . 92.7 mt -89.69 130.98 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -126.43 154.14 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 78' ' ' VAL . 3.1 mp -107.95 130.15 60.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' HB2' ' HG2' ' A' ' 39' ' ' MET . 0.6 OUTLIER -75.02 -170.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -51.33 -35.92 40.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -141.33 -49.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.432 ' HG2' ' HB2' ' A' ' 36' ' ' GLN . 6.1 ptm -75.57 174.11 10.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.618 HD11 HD13 ' A' ' 57' ' ' LEU . 67.1 mt -117.79 137.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG23 ' OH ' ' A' ' 48' ' ' TYR . 47.0 mm -108.86 120.34 60.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.6 101.16 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -98.26 -17.39 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.743 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -49.88 151.35 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.453 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER 62.32 167.65 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.696 0.76 . . . . 0.0 110.865 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.7 Cg_endo -69.76 -5.54 16.46 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.339 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -107.13 128.94 54.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.485 ' OH ' HG23 ' A' ' 41' ' ' ILE . 47.7 t80 -94.7 129.41 41.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 50' ' ' ARG . 3.0 tm? -128.78 143.43 50.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.714 ' N ' HD13 ' A' ' 49' ' ' LEU . 4.3 ttp180 -119.86 135.21 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' HD22 ' A' ' 17' ' ' LEU . 94.3 mt -124.97 115.18 20.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -108.42 109.65 20.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' HD2' HD11 ' A' ' 57' ' ' LEU . 17.2 m-30 -96.47 156.66 36.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.666 0.746 . . . . 0.0 110.866 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HD2' ' HB3' ' A' ' 53' ' ' PHE . 53.8 Cg_endo -69.73 -6.2 18.01 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -118.28 -171.5 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 81' ' ' LEU . 1.6 pm0 -124.11 123.92 41.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.712 HD23 ' HG2' ' A' ' 80' ' ' LYS . 1.9 mt -101.14 -175.5 2.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 13.9 tt -143.99 143.81 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.68 107.78 18.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -125.77 -172.87 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.834 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.27 -35.9 76.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -60.66 -37.62 82.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -61.02 132.49 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 t -173.44 164.97 4.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -131.17 143.2 50.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -122.35 131.85 54.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' HD1' HD13 ' A' ' 74' ' ' ILE . 4.2 t80 -87.83 127.0 35.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -102.5 118.07 36.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -86.49 -42.51 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.26 -19.56 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -123.98 -5.87 7.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.92 26.45 7.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.76 161.86 15.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.45 HD13 ' HD1' ' A' ' 67' ' ' TYR . 15.2 mm -117.07 132.16 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -110.31 123.97 50.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 44.5 t -115.99 130.75 70.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -111.29 140.18 46.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.592 HG21 HD13 ' A' ' 40' ' ' ILE . 85.6 t -145.13 124.97 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.43 ' HB2' ' HG3' ' A' ' 62' ' ' ARG . . . -78.33 134.27 37.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.712 ' HG2' HD23 ' A' ' 57' ' ' LEU . 1.5 tmtt? -94.1 143.64 26.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.534 HD12 ' HG2' ' A' ' 56' ' ' GLU . 54.8 mt -52.47 -42.85 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -120.6 140.39 51.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.5 tttt -77.59 162.05 27.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 61.63 17.73 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -89.82 116.13 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -94.32 173.88 7.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.789 ' HB3' HD13 ' A' ' 90' ' ' LEU . 29.0 m-85 -134.07 159.92 39.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -118.67 -43.45 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -62.14 -17.2 57.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 ' HB3' ' A' ' 87' ' ' PHE . 8.7 mp -64.35 -14.44 56.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.438 ' O ' HD23 ' A' ' 92' ' ' LEU . 20.8 m-20 -97.14 9.47 42.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD21 ' O ' ' A' ' 107' ' ' ASP . 5.2 mt -137.06 102.85 9.02 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.604 0.716 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 92' ' ' LEU . 53.9 Cg_endo -69.73 -7.27 20.62 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -95.17 -23.54 17.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 106' ' ' ALA . 56.0 mmtt -80.61 -27.46 37.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' CE1' ' A' ' 53' ' ' PHE . 5.5 mt -80.97 -42.38 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.945 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' CD2' HD21 ' A' ' 49' ' ' LEU . 67.9 mt -65.24 -52.0 57.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.34 109.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.12 5.81 24.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.856 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -139.66 128.11 22.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 114.04 116.04 3.21 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -78.35 106.04 10.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.858 0.361 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 tp -106.17 -27.14 11.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 62.18 35.78 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -112.25 47.44 1.04 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.432 ' HB2' ' HE3' ' A' ' 95' ' ' LYS . . . -88.43 103.77 16.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.752 0.31 . . . . 0.0 111.104 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.606 ' O ' HD21 ' A' ' 92' ' ' LEU . 71.4 m-20 -101.75 155.02 18.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -160.77 152.28 19.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.8 mt -139.81 132.26 28.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.8 t -156.73 110.73 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -135.24 127.94 30.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 36.8 t30 -75.8 145.41 40.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.7 p -110.31 -171.91 1.93 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.09 160.81 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 64.96 51.71 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -151.72 172.68 15.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 118' ' ' THR . 19.1 ttmt -98.52 14.74 27.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 117' ' ' LYS . 10.1 t 36.96 43.64 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -115.79 117.7 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.84 67.07 0.48 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 109.62 2.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 122' ' ' LEU . 0.4 OUTLIER -153.82 103.93 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.7 mt -83.35 112.25 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -148.55 135.69 20.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -114.62 120.66 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 33.4 m -147.36 135.45 14.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -103.76 117.67 34.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.0 m -101.58 141.97 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -150.42 176.18 11.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -178.63 98.18 0.11 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 23.1 m -89.85 153.43 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 33.8 t -113.99 -26.42 8.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 63.28 36.08 12.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.965 . . . . . . . . 0 0 . 1 stop_ save_