data_1x49_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 1x49 _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 ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -60.57 -50.75 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.0 mtp -47.2 -29.05 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.68 -33.94 53.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -69.23 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.8 -62.02 2.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -49.08 -49.11 43.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -53.47 -21.55 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t80 -94.89 -40.95 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 12.5 ptt85 -60.14 -28.11 67.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -81.31 -52.27 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 mtm -56.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 27.9 m-70 -71.01 -49.92 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.55 41.87 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 53' ' ' ILE . 28.6 m -104.66 171.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.06 112.87 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 3.3 mt -101.81 127.13 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -129.64 134.94 47.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 51' ' ' VAL . 13.2 m-85 -104.79 103.86 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -81.89 128.45 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -86.68 101.54 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 60' ' ' GLU . 11.9 mt -79.77 168.21 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -69.71 -176.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 m -101.95 141.64 34.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 m -135.76 132.47 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.07 -173.44 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 Cg_endo -69.79 169.85 18.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -35.84 11.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.2 p-80 -72.32 -52.48 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.438 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 3.8 t70 -108.88 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -101.96 132.3 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -115.28 118.16 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -87.32 125.25 34.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 49' ' ' PHE . 8.5 m -93.64 145.94 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.409 ' N ' HG23 ' A' ' 48' ' ' THR . 13.4 m-85 -146.0 158.95 43.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.58 156.33 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 HG23 ' CE2' ' A' ' 33' ' ' TYR . 93.7 t -114.5 154.56 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.22 113.24 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 29' ' ' VAL . 17.0 mt -115.69 126.28 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 58.32 45.16 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 61.04 29.29 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -106.64 146.26 30.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -102.99 112.24 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 39.5 m-85 -91.2 157.75 42.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 103.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 9.0 pt-20 -46.43 173.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.65 156.28 41.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -94.96 151.03 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.26 141.82 7.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -43.67 -59.49 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 t -118.94 164.22 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.66 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.38 -59.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -49.58 -35.26 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.45 -56.65 6.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -51.96 -47.72 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -57.4 -45.32 84.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.35 21.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.92 -38.31 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.34 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.74 -47.53 67.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.01 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 t -51.16 -36.25 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mt -78.43 -54.49 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 82' ' ' ASP . 23.7 mt -41.61 -58.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 42.3 m-85 -66.31 -57.38 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.0 mtp -40.7 -33.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.66 -37.42 62.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' TYR . 40.6 mtmt -65.98 -40.52 91.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.24 -61.35 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.38 -46.27 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -57.79 -22.49 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.4 t80 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 14.6 ptt85 -65.56 -41.38 93.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.4 -19.27 53.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.3 mmm -80.99 -48.61 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.9 m-70 -84.19 -48.72 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.16 46.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 14.6 m -110.39 176.49 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.39 112.21 20.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.422 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 3.1 mt -99.18 127.31 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -129.85 133.04 46.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -101.73 108.04 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -89.29 122.19 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 3.6 tm-20 -81.69 108.12 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 48' ' ' THR . 26.9 mt -84.17 174.59 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.4 m -72.4 -175.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.19 148.89 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -144.91 142.56 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.45 -171.58 21.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.528 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.5 Cg_endo -69.8 169.83 18.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 10.0 p-80 -63.11 -52.23 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.06 115.19 29.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.69 118.29 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -97.4 120.41 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.5 126.52 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.453 ' CG2' HD13 ' A' ' 36' ' ' LEU . 17.5 m -95.49 150.04 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 13.1 m-85 -149.35 168.26 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.22 148.75 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' CG1' ' CG2' ' A' ' 31' ' ' ILE . 47.1 t -109.63 153.37 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.03 111.3 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.478 HD13 ' CE1' ' A' ' 58' ' ' PHE . 11.6 mt -114.76 134.47 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.22 44.47 28.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.05 27.8 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 25.4 ttmt -105.1 142.76 34.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -99.81 110.1 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 38.1 m-85 -89.0 158.08 47.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 108.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.91 177.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.82 162.22 38.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -97.65 153.37 18.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 128.9 2.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -38.9 -63.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.4 t -103.16 146.69 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' SER . 26.5 mmtp -36.17 -53.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.78 -59.45 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -41.04 -38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . . . -60.95 -47.48 86.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -53.74 -43.16 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.17 -41.22 96.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -63.11 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.79 -41.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 35.6 tttm -49.59 -50.09 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.55 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.71 -64.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.9 t -45.0 -39.48 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.35 -48.22 81.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.06 -54.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 mt -45.27 -51.63 10.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 16.3 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -75.46 -51.04 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 73.5 mtp -47.24 -36.95 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -38.2 89.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 25.4 mttt -63.83 -47.88 79.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 53' ' ' ILE . 11.1 mt -49.08 -60.97 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -52.03 -35.29 46.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -69.68 -24.44 63.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.3 t80 -94.91 -28.18 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 19.0 ptt85 -72.39 -34.0 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.45 -31.17 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -71.41 -57.38 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 17.2 m-70 -72.92 -52.61 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 35.7 m -110.38 162.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 115.5 30.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 14.9 mt -98.8 129.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.7 m -130.44 129.35 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.448 ' CD2' HG23 ' A' ' 51' ' ' VAL . 22.7 m-85 -100.51 103.75 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -83.77 124.45 30.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -80.51 120.26 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 48' ' ' THR . 17.0 mt -100.75 173.53 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -71.24 176.39 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 26.6 m -115.62 135.3 54.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -132.47 132.85 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.57 30.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.482 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.95 17.67 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.9 p-80 -57.23 -52.72 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.08 115.19 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.77 112.66 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.469 ' O ' ' CG2' ' A' ' 38' ' ' THR . 38.2 mmt180 -87.13 113.23 22.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 76.0 m-85 -92.05 123.76 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.452 HG21 ' CD1' ' A' ' 36' ' ' LEU . 15.1 m -91.3 141.11 29.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 19.6 m-85 -141.41 159.35 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -150.62 143.59 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG23 ' CD2' ' A' ' 33' ' ' TYR . 87.2 t -105.29 154.71 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.17 116.93 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 HD11 ' CD2' ' A' ' 20' ' ' LEU . 11.3 mt -118.79 136.26 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 49.22 41.17 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 63.44 36.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -114.98 144.62 43.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.47 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.4 m-85 -90.31 158.41 43.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.828 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 108.72 2.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.02 178.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.5 158.14 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -94.4 155.65 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.81 144.12 11.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -46.1 -57.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.2 p -117.78 152.01 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 5.4 mmmt -34.67 -53.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -63.72 -48.26 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -50.96 -37.62 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.435 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . . . -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.18 -44.15 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.22 -46.59 88.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.83 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -39.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.41 78.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 37.7 tttp -49.36 -46.55 47.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.2 mt -66.32 -39.19 89.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.82 -62.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -49.79 -40.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.83 -37.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.41 -54.26 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . 33.3 mt -45.82 -54.94 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' LEU . 39.3 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 26.7 m-85 -49.22 -52.32 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.2 mtp -44.56 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -31.06 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -71.59 -34.34 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 14.9 mt -61.66 -49.86 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.89 -56.18 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -49.44 -21.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.94 -30.86 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 14.0 ptt180 -75.39 -28.23 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.06 -23.98 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 9.7 ptm -82.85 -44.69 15.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' MET . 17.6 m-70 -83.11 -27.37 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.24 47.66 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 31.2 m -112.58 -179.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.31 111.07 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.422 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 11.3 mt -98.49 131.92 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -130.54 129.56 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CE2' HG23 ' A' ' 51' ' ' VAL . 18.7 m-85 -99.74 104.02 15.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -84.62 135.38 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -91.09 121.12 32.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 48' ' ' THR . 15.7 mt -97.02 176.9 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -71.57 -175.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 m -113.46 151.36 31.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -144.91 162.97 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.58 -171.4 13.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.526 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.79 169.91 17.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.08 3.69 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 23.4 p-80 -65.61 -52.6 50.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 7.6 t70 -109.0 115.12 29.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -101.77 132.11 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -106.51 123.89 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -94.84 127.39 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' HD12 ' A' ' 36' ' ' LEU . 8.8 m -100.18 139.49 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.6 162.37 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -150.68 146.24 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG23 ' CE2' ' A' ' 33' ' ' TYR . 99.8 t -106.61 154.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.19 110.18 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 58' ' ' PHE . 6.7 mt -114.49 122.97 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t0 63.24 42.82 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 62.01 25.63 15.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 23.1 ttmt -103.43 141.9 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.57 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 56' ' ' LYS . 37.0 m-85 -84.76 158.29 59.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.731 0.777 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.83 174.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.6 158.97 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -99.02 151.88 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.47 134.03 3.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -39.18 -56.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -113.59 160.85 18.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -40.58 -45.73 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.33 -53.5 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -44.99 -34.31 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.94 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.22 -47.35 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.16 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . . . -70.11 -31.21 68.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 59.3 tttt -57.68 -49.23 77.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -37.63 88.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.73 -59.49 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.1 t -51.34 -35.78 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.52 -40.12 93.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.27 -52.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 82' ' ' ASP . 32.2 mt -42.42 -56.96 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -66.02 -51.31 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.2 mtp -42.93 -42.73 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.96 -39.74 90.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.55 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 12.2 mt -50.54 -54.21 24.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -52.37 -60.22 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -45.59 -21.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.4 t80 -93.63 -34.79 13.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 24.8 ptt85 -70.1 -30.38 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.66 -26.4 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.2 ttp -78.14 -57.35 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.702 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 45.3 m-70 -72.37 -35.46 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.51 48.2 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 19.3 m -113.52 177.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 111.16 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG23 ' CG1' ' A' ' 51' ' ' VAL . 4.0 mt -97.96 130.65 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -129.24 136.16 49.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.28 105.33 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -86.24 122.97 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.39 110.18 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -85.78 168.69 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 t -68.22 -174.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.435 HG22 ' CD ' ' A' ' 45' ' ' ARG . 20.1 m -110.61 141.75 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -137.7 135.02 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.68 -168.15 25.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 169.51 18.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.65 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 45.2 p-80 -73.49 -48.65 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.2 t0 -107.49 115.07 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CD ' HG22 ' A' ' 38' ' ' THR . 19.1 mmt85 -106.61 119.94 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -97.42 114.29 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' CD1' ' HE2' ' A' ' 66' ' ' LYS . 27.2 m-85 -87.35 115.68 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 49' ' ' PHE . 10.7 m -87.61 148.1 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.533 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 18.7 m-85 -144.56 165.45 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -155.46 146.92 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 31' ' ' ILE . 69.1 t -108.04 152.95 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.26 110.17 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.2 mt -111.5 124.2 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 59.25 45.58 13.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 61.89 26.1 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -101.56 148.12 25.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -105.2 108.45 19.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 37.4 m-85 -89.45 158.05 46.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 106.54 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -45.79 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.31 158.76 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -97.74 143.55 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.22 135.32 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 8.4 ttp-105 -38.51 -56.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -116.28 164.79 13.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.508 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mmtt -43.69 -54.77 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ARG . 4.9 mt-30 -61.26 -63.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLN . 3.7 tp10 -35.4 -39.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -61.65 -49.32 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' GLN . 84.2 mtt180 -49.75 -43.35 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -42.33 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.83 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.44 70.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -71.29 -33.81 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -52.73 -47.29 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.36 -37.38 85.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.99 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.54 -39.83 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.24 85.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.01 -48.03 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.71 -52.45 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.4 m-85 -68.6 -56.69 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.3 mtp -41.95 -41.58 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.27 -36.7 84.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TYR . 33.7 mtmt -64.3 -39.87 94.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 ' CB ' ' A' ' 74' ' ' ALA . 17.2 mt -59.49 -53.63 55.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.7 -41.2 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -62.14 -22.22 65.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 30.4 t80 -94.93 -36.82 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 20.3 ptt85 -62.91 -35.56 80.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.94 -18.91 35.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 mmm -81.22 -46.99 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.7 m-70 -86.51 -38.02 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.6 44.44 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 19.2 m -109.04 172.97 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.96 113.01 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' CG1' ' A' ' 51' ' ' VAL . 7.9 mt -99.53 129.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -129.74 128.15 41.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CD2' HG21 ' A' ' 51' ' ' VAL . 9.9 m-85 -97.68 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -83.84 132.39 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.15 117.61 28.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 48' ' ' THR . 13.8 mt -93.9 173.79 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 t -74.65 173.91 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.455 HG21 ' CD ' ' A' ' 45' ' ' ARG . 24.6 m -96.87 136.03 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -132.58 120.9 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.29 -168.02 33.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.73 168.84 20.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 54.1 p-80 -60.22 -51.22 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.7 t70 -108.86 115.19 29.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.455 ' CD ' HG21 ' A' ' 38' ' ' THR . 16.7 mmt85 -101.53 118.79 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -95.36 119.46 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.13 125.31 34.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 49' ' ' PHE . 31.1 m -96.48 144.12 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.459 ' N ' HG21 ' A' ' 48' ' ' THR . 12.3 m-85 -142.09 161.04 38.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -152.63 149.25 28.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 33' ' ' TYR . 97.2 t -109.48 153.77 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.36 110.76 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.483 HD13 ' CE1' ' A' ' 58' ' ' PHE . 9.4 mt -113.63 131.5 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 54.09 43.65 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 62.58 24.99 14.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -102.26 146.48 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.64 108.71 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -89.11 158.31 46.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -49.08 178.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.26 156.86 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.19 142.53 30.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.59 133.9 4.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 14.7 ttp-105 -44.57 -51.56 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -109.33 164.28 12.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -53.7 -47.64 70.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -60.87 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 14.4 tt0 -41.45 -39.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -61.81 -46.8 87.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -57.0 -45.66 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.08 -40.9 86.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.76 -65.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.86 -33.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' CB ' HD12 ' A' ' 20' ' ' LEU . . . -69.66 -36.29 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.095 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.4 tttt -53.39 -46.56 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.37 -36.0 76.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.87 -62.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -47.96 -41.37 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.62 -44.99 81.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.19 -43.07 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.19 -40.93 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -63.71 -50.92 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.2 mtp -46.93 -33.72 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.02 -34.44 50.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -65.47 -32.33 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.55 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -50.01 -25.61 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -78.54 -29.63 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.1 t80 -88.64 -26.29 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 21.5 ptt85 -68.74 -40.27 79.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.13 -21.27 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.6 mmm -76.83 -43.43 36.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 20.7 m-70 -90.7 -47.32 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.92 38.95 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 18.3 m -103.4 174.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 111.12 20.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.8 mt -99.12 128.03 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 m -131.31 134.16 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.0 103.79 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -86.48 139.21 31.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -97.43 126.19 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.92 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -69.13 -177.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 HG21 ' CD ' ' A' ' 45' ' ' ARG . 10.0 m -103.52 116.76 32.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -108.65 118.5 36.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -172.42 34.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.37 2.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 14.9 p-80 -66.16 -48.33 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.01 115.36 29.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.443 ' CD ' HG21 ' A' ' 38' ' ' THR . 28.2 mmt180 -102.89 124.29 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -104.17 123.67 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -88.68 119.16 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 m -93.74 146.0 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -144.1 165.58 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -155.32 157.09 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 52' ' ' LEU . 57.0 t -115.96 154.07 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 5.3 mp -131.35 115.41 16.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -120.56 124.57 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t0 60.18 41.89 16.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.76 24.92 13.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 28.1 ttmt -104.92 134.8 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.44 112.14 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 26.8 m-85 -89.29 158.9 45.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -48.0 176.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.17 160.8 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -99.89 148.16 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.54 138.09 6.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -42.34 -57.09 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.4 p -114.68 157.88 22.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -40.64 -42.96 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -69.57 -48.82 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.44 -35.19 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.7 -52.24 58.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -51.26 -43.54 61.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -61.59 -56.38 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.9 -47.55 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.7 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.19 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -54.43 -49.94 68.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.96 -34.59 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.99 -61.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.12 -35.16 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.52 -45.46 93.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.415 HD13 ' CE2' ' A' ' 58' ' ' PHE . 48.3 mt -64.15 -54.66 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ASP . 30.9 mt -46.17 -53.51 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 34.9 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.1 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 41.5 m-85 -60.59 -59.29 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' TYR . 87.8 mtp -37.57 -40.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.61 -42.99 85.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' TYR . 39.1 mtmt -58.21 -36.53 73.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 53' ' ' ILE . 10.9 mt -60.01 -62.44 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -50.71 -47.38 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -55.16 -22.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.9 t80 -94.93 -38.83 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 17.8 ptt85 -63.65 -35.77 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.57 -16.52 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.1 ttp -88.89 -62.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 12.8 m-70 -68.43 -45.62 72.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.71 49.68 0.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 26.9 m -116.76 167.31 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.47 115.63 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mt -102.85 127.19 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -128.6 132.12 48.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CE2' HG23 ' A' ' 51' ' ' VAL . 22.1 m-85 -102.45 103.86 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -83.2 130.61 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -88.42 104.95 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 60' ' ' GLU . 31.6 mt -78.01 -177.48 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -81.47 -179.3 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -108.84 117.64 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t -112.98 148.06 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.5 -176.25 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.65 18.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -37.97 8.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 36.8 p-80 -68.33 -52.59 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 t70 -109.15 115.18 29.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -102.28 128.54 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -106.31 119.43 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CG ' ' HD3' ' A' ' 66' ' ' LYS . 23.8 m-85 -89.41 114.51 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.3 m -89.38 142.94 27.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -142.65 164.88 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -157.0 151.78 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 33' ' ' TYR . 86.3 t -113.73 153.85 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.25 111.57 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.5 mt -113.39 127.1 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 t70 56.8 46.33 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.89 25.28 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -102.34 146.92 27.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.72 110.7 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 53' ' ' ILE . 39.0 m-85 -90.55 157.9 43.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 109.83 2.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' CB ' HD13 ' A' ' 36' ' ' LEU . 3.9 pm0 -50.26 -178.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.24 160.41 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -99.7 149.92 22.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -151.76 128.82 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -38.21 -58.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -102.18 149.1 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -42.88 -48.93 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.74 -50.04 59.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -46.56 -38.66 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.04 91.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -53.01 -44.96 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -59.3 -51.65 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.84 -56.97 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.14 -38.72 18.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' CB ' HD11 ' A' ' 20' ' ' LEU . . . -68.2 -35.45 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -51.5 -50.78 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.69 -36.87 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.07 -60.52 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.6 t -50.21 -37.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.45 -43.92 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.8 mt -68.02 -60.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' ILE . 46.6 mt -34.64 -52.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LYS . 36.1 m-85 -67.36 -50.41 59.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.3 mtp -45.42 -28.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.6 -31.7 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' TYR . 35.0 mtmt -71.87 -35.21 69.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.12 -56.37 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -51.4 -57.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.99 -21.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 21.5 t80 -93.97 -36.7 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -67.76 -36.72 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.97 -14.91 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.6 ttp -88.55 -55.74 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 38.2 m-70 -75.73 -36.75 59.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.85 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 53' ' ' ILE . 33.6 m -113.49 165.24 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.74 113.05 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mt -98.53 128.73 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -128.22 133.0 48.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -100.99 105.68 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -87.11 128.84 35.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -85.8 127.47 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.73 163.38 13.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -63.15 176.45 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -102.87 138.47 39.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.4 p -130.2 129.91 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.07 -173.25 26.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.75 169.71 18.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.95 2.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 7.5 p-80 -62.98 -55.01 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.2 m-20 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -100.81 134.6 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -113.27 117.95 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.38 127.01 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 49' ' ' PHE . 19.1 m -98.19 146.23 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' N ' HG21 ' A' ' 48' ' ' THR . 11.7 m-85 -144.14 164.11 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -155.14 145.21 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 52' ' ' LEU . 91.5 t -104.41 154.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.24 110.83 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CG2' HG22 ' A' ' 29' ' ' VAL . 18.7 mt -114.34 137.26 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t0 49.62 42.02 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 61.23 34.57 18.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -112.56 140.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.55 107.14 19.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.7 m-85 -86.51 158.58 54.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.693 0.758 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.39 2.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -47.98 176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.81 157.16 38.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -95.78 147.5 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.75 140.34 8.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -45.26 -60.49 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.426 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 22.8 t -107.07 163.82 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -47.13 -58.4 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -59.15 -51.08 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -45.46 -40.15 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.29 86.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -52.64 -42.92 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -61.63 -53.39 56.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 -57.11 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.36 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.99 79.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -51.87 -47.01 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.82 -40.79 92.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.39 -64.38 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.8 t -46.49 -37.11 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.43 -40.77 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mt -70.94 -45.03 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.31 -53.25 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.87 -48.02 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.1 mtp -49.66 -31.85 11.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.53 -31.07 53.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -70.5 -32.05 69.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.19 -55.63 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -52.85 -54.66 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -50.55 -21.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.1 t80 -94.52 -36.59 11.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -67.06 -41.4 86.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -75.13 -20.33 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 ttp -86.44 -54.94 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.2 m-70 -72.17 -40.98 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.91 45.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 53' ' ' ILE . 34.5 m -115.93 158.09 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.5 110.87 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 4.2 mt -99.3 130.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -130.5 129.55 43.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -92.32 103.75 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 21.8 tptt -74.58 136.64 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.25 100.93 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.81 162.28 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -67.0 -177.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.74 139.69 32.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -134.97 125.91 27.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.04 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.56 4.21 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.5 p-80 -67.26 -54.07 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.3 m-20 -109.08 115.26 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.31 124.93 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 -103.71 121.04 42.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -86.05 124.14 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 m -94.27 142.08 27.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 20.2 m-85 -142.55 165.69 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -163.23 142.4 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' ' CG2' ' A' ' 31' ' ' ILE . 70.9 t -95.73 154.48 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 5.2 mp -131.37 110.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 29' ' ' VAL . 10.1 mt -113.8 138.47 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 45.48 45.28 10.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 60.93 29.0 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -105.32 135.88 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.54 110.27 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 77' ' ' ALA . 37.2 m-85 -86.47 158.87 54.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -44.97 170.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.19 164.5 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -98.07 146.74 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.73 131.73 3.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.4 -52.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.8 p -122.7 161.11 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -42.52 -47.55 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' ' C ' ' A' ' 67' ' ' GLN . 1.7 tm0? -67.46 -52.61 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.8 -32.66 14.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . . . -69.67 -43.92 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -54.61 -45.67 73.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.79 -51.98 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.31 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.08 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -56.02 -49.63 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.7 -36.59 84.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.45 -60.21 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -50.06 -36.25 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.13 -43.54 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.84 -50.65 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.5 mt -45.75 -53.68 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.822 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -48.0 -50.13 28.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.7 mtp -48.51 -35.19 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.35 -31.49 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -70.3 -30.36 67.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 17.9 mt -69.52 -58.17 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -52.02 -31.07 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -75.06 -23.45 58.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 5.3 t80 -94.84 -27.18 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.6 ptt85 -68.53 -36.33 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.96 -38.73 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.476 ' HE1' ' CD2' ' A' ' 27' ' ' HIS . 7.9 tmm? -62.27 -61.44 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.613 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.2 m-70 -69.62 -40.06 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.89 45.35 2.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 16.0 m -106.71 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.19 111.43 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 9.2 mt -99.05 129.43 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -130.9 130.81 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HG22 ' A' ' 51' ' ' VAL . 12.3 m-85 -100.75 104.1 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -85.3 135.04 34.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 48' ' ' THR . 15.6 mt -92.63 177.83 5.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -71.35 -176.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.59 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -129.76 151.23 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.64 -174.01 18.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.521 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.4 p-80 -60.28 -55.43 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.463 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 9.4 t70 -108.98 115.19 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -101.07 130.87 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -107.85 119.43 39.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 14.7 m-85 -89.34 123.82 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 36' ' ' LEU . 12.1 m -93.08 140.92 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.0 161.33 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.25 152.53 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 31' ' ' ILE . 96.6 t -112.93 152.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 111.84 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 58' ' ' PHE . 10.5 mt -113.58 123.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.79 43.01 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.86 29.52 14.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -104.61 148.55 26.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.93 105.95 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 43.9 m-85 -86.91 157.84 54.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.692 0.758 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 105.78 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 174.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.83 158.06 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -97.6 148.39 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.09 159.35 28.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -64.55 -51.32 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -117.84 156.93 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HE3' ' CD1' ' A' ' 47' ' ' PHE . 27.1 mmtp -40.18 -49.79 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.45 -53.84 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -43.96 -38.81 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.48 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -46.35 -46.56 18.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.08 -49.69 74.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.47 -47.21 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.43 86.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 19.8 tttm -50.15 -51.16 45.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.41 -38.18 90.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.62 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -49.39 -46.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -36.49 66.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.91 -56.06 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.2 mt -42.43 -53.34 4.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' LEU . 7.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.42 -41.43 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 74.8 mtp -52.95 -27.85 20.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.06 -37.49 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -68.65 -26.98 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.83 -60.29 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.35 -44.99 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.59 -22.48 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 21.9 t80 -94.98 -32.05 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 7.2 ptt85 -71.68 -29.04 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -84.16 -29.69 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -77.19 -57.77 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.556 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.1 m-70 -71.33 -31.81 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.35 48.09 3.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 16.7 m -113.41 171.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.33 117.05 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.69 125.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -127.33 129.77 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CE2' HG23 ' A' ' 51' ' ' VAL . 6.4 m-85 -99.45 106.81 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -87.34 143.64 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -99.95 119.66 38.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.0 -178.31 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -76.22 178.06 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 m -104.95 125.58 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -120.06 146.03 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.7 -171.45 22.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.72 168.6 21.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.82 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.6 p-80 -61.43 -51.97 66.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.36 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -102.13 122.45 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -102.56 123.57 46.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -89.79 126.31 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 49' ' ' PHE . 88.6 m -97.96 144.83 27.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' N ' HG21 ' A' ' 48' ' ' THR . 12.1 m-85 -142.52 168.24 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -155.74 156.38 34.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 HG23 ' CE2' ' A' ' 33' ' ' TYR . 75.7 t -117.06 153.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.2 112.18 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.1 mt -114.3 118.28 58.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 65.03 45.97 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 60.96 24.99 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 36.6 tttp -102.0 142.67 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -100.1 108.55 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 35.3 m-85 -88.31 158.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.61 -179.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.6 158.52 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -96.5 143.33 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.92 131.48 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 55.9 mtp180 -35.42 -60.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -110.13 171.92 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.76 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -71.24 -46.68 60.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.76 -35.87 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.28 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -49.92 -44.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -64.43 -43.87 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -54.86 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.63 -32.43 18.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.19 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -60.74 -45.5 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.2 mt -66.48 -38.15 86.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.25 -62.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -45.64 -36.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.79 -47.65 82.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.81 -50.43 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -46.48 -52.7 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 40.7 m-85 -64.21 -52.69 57.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.5 mtp -40.33 -47.88 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' TYR . 37.0 mtmt -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 53' ' ' ILE . 11.8 mt -55.23 -59.3 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -52.9 -33.47 50.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -70.5 -23.17 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.0 t80 -94.88 -33.46 12.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 13.4 ptt180 -63.3 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -87.69 -40.57 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.4 ttm -61.5 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.79 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 23.0 m-70 -78.22 -47.22 18.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 47.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 27.8 m -114.25 167.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.79 110.42 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 HG21 ' CG1' ' A' ' 51' ' ' VAL . 31.2 mt -92.32 135.23 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.2 m -133.2 128.91 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 51' ' ' VAL . 34.2 m-85 -103.02 103.82 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -85.35 123.37 30.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.8 118.32 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 48' ' ' THR . 58.8 mt -92.56 168.27 11.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.8 m -73.35 167.41 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -93.85 145.66 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.4 m -140.81 135.24 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -170.04 24.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.74 169.86 17.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.88 2.97 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.6 p-80 -66.96 -52.0 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 15.0 t0 -109.11 115.24 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -110.54 127.92 55.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -101.3 115.79 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.1 120.32 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.463 ' CG2' HD12 ' A' ' 36' ' ' LEU . 5.4 m -95.52 144.7 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -145.44 168.85 19.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.12 147.76 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.561 HG21 ' CE2' ' A' ' 33' ' ' TYR . 47.2 t -109.33 154.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.31 113.13 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 58' ' ' PHE . 12.5 mt -114.13 124.78 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t0 59.88 43.66 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 61.52 34.66 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 21.7 ttmt -110.59 149.3 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -104.55 108.57 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -89.13 158.26 46.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.693 0.758 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 108.53 2.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.494 ' CD ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -48.74 178.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.42 158.42 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -95.12 145.33 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.1 130.8 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLY . 19.4 ttp180 -34.63 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.833 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -111.75 171.57 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -51.84 -39.73 59.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -42.83 -38.55 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.18 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -52.82 -44.7 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -66.1 -49.0 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.93 -37.42 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.75 85.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 81.3 tttt -49.26 -48.27 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.29 -34.99 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.28 -63.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.3 t -46.68 -41.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -52.83 -49.22 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.3 -48.08 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.29 -43.91 83.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.1 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 18.7 m-85 -61.07 -48.2 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.2 mtp -47.57 -34.76 8.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.2 -34.58 70.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -70.12 -36.71 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.01 -55.55 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -56.1 -37.36 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.81 -22.68 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.5 t80 -95.08 -28.39 15.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 18.0 ptt85 -70.2 -30.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 26' ' ' MET . 11.6 pt20 -88.09 -35.89 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.43 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 8.6 mtm -66.48 -47.52 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.0 m-70 -81.5 -47.56 12.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 52.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.22 176.94 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 111.081 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.69 111.83 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 22.0 mt -97.67 136.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -134.36 128.61 34.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.46 ' CE2' HG23 ' A' ' 51' ' ' VAL . 35.6 m-85 -98.99 107.38 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -88.81 123.77 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.4 tt0 -83.9 119.93 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 48' ' ' THR . 9.9 mt -97.93 167.35 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -65.45 175.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.446 HG22 ' CD ' ' A' ' 45' ' ' ARG . 41.0 m -100.76 137.22 39.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -132.58 133.28 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.05 -173.26 23.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.1 Cg_endo -69.79 170.01 17.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.3 p-80 -58.66 -53.67 55.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -109.13 115.14 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' HG22 ' A' ' 38' ' ' THR . 11.4 mmt180 -99.68 123.99 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 mmt-85 -107.2 112.98 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -87.62 129.04 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 36' ' ' LEU . 10.2 m -96.99 137.92 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 35' ' ' GLU . 12.7 m-85 -138.72 163.58 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.04 149.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.46 HG23 ' CE2' ' A' ' 33' ' ' TYR . 78.6 t -107.59 154.36 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.26 111.15 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.433 HD13 ' CZ ' ' A' ' 58' ' ' PHE . 17.2 mt -114.07 134.49 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 50.85 45.19 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.26 26.48 16.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -103.84 147.31 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.8 112.32 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -90.6 157.88 43.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 109.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -49.49 169.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.73 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -95.69 146.38 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.87 141.35 9.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -45.97 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 m -110.05 177.99 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -56.52 -55.43 33.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 mp0 -59.19 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -38.71 -35.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.91 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' GLN . 35.6 mtt180 -59.22 -46.06 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -58.0 10.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -44.86 -61.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.84 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.61 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ALA . 43.9 tttp -50.98 -49.54 60.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.68 -63.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.52 -39.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.89 -42.95 94.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -67.96 -46.31 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.8 mt -55.17 -43.68 74.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.831 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -55.74 -45.5 78.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.488 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 29.2 mmm -49.18 -47.39 46.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -30.01 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -75.64 -36.48 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.29 -59.0 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -54.23 -28.88 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -74.69 -24.5 58.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 33.2 t80 -94.8 -20.59 19.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 22.7 ptt85 -79.54 -33.99 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -82.28 -32.89 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.6 mtm -72.47 -58.42 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 19.0 m-70 -69.73 -49.19 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.13 45.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 33.1 m -112.58 157.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 HG21 ' CG1' ' A' ' 51' ' ' VAL . 8.2 mt -95.64 130.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -133.34 130.67 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.54 ' CE2' HG21 ' A' ' 51' ' ' VAL . 50.2 m-85 -101.57 106.94 18.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -86.94 123.53 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.92 109.02 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.48 -179.89 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -75.18 -176.85 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 44.0 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 38' ' ' THR . 2.7 m -132.63 123.35 26.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.85 32.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.43 3.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 44' ' ' ASP . 14.5 p-80 -68.15 -47.41 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 m-20 -109.05 115.21 29.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -105.69 119.93 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' CG2' ' A' ' 38' ' ' THR . 50.1 mmt-85 -92.49 115.06 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.28 120.61 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 49' ' ' PHE . 25.2 m -95.41 144.55 25.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.411 ' N ' HG23 ' A' ' 48' ' ' THR . 25.9 m-85 -143.22 166.95 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -157.56 151.68 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 33' ' ' TYR . 89.4 t -110.11 154.57 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.08 110.97 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' CE1' ' A' ' 58' ' ' PHE . 11.7 mt -113.58 124.96 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 56.99 46.88 18.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 59.31 29.43 18.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 12.4 ttmm -107.09 130.83 54.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -89.55 106.36 18.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.0 m-85 -85.79 158.72 56.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 105.67 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -47.69 175.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.92 160.48 43.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -95.86 152.39 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.31 152.66 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.15 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -119.0 160.06 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -40.22 -56.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.2 -53.7 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -46.98 -38.87 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.66 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -52.65 -48.39 66.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.8 -37.16 73.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.28 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.18 -31.49 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.77 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 43.3 tttm -49.25 -42.62 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.01 -37.3 75.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.16 -61.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -48.04 -45.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.34 -31.61 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.99 -55.08 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' ASP . 48.5 mt -42.24 -49.81 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.76 -50.69 65.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -45.7 -40.88 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.8 -39.69 79.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -61.89 -32.18 72.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 53' ' ' ILE . 8.5 mt -68.19 -58.35 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -52.48 -30.33 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -74.09 -23.47 59.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t80 -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 13.1 ptt180 -67.71 -30.3 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -88.24 -30.51 19.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.86 -45.37 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 m-70 -86.94 -36.95 18.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.51 44.1 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 34.2 m -110.18 164.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.33 110.71 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 10.7 mt -95.41 130.63 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.4 m -130.35 134.76 47.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -104.44 104.29 14.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -85.32 119.66 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.82 116.43 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.15 171.33 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 p -65.37 173.83 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 m -111.2 135.5 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -132.68 158.33 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.53 -170.88 17.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.1 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 49.7 p-80 -58.46 -51.88 67.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 1.2 m-20 -108.63 115.17 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -100.75 118.6 37.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -97.4 113.75 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -89.69 131.03 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 m -99.01 137.47 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -135.63 166.24 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -157.23 139.77 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 154.59 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.18 114.01 14.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' HG22 ' A' ' 29' ' ' VAL . 12.4 mt -115.21 133.95 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 t70 52.35 39.48 27.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.61 34.3 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 23.6 tttm -111.56 142.97 43.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -97.97 107.76 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -87.29 158.4 52.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 106.0 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -47.4 172.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.02 41.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -94.83 146.17 24.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -42.69 -56.76 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -110.88 178.31 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -58.27 -56.49 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.31 -55.11 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -42.86 -35.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -58.48 -43.56 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.81 -49.08 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -55.46 -63.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.53 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' ALA . 45.2 tttp -50.91 -50.5 57.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.94 -36.51 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.39 -61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.0 t -50.78 -47.08 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.11 -45.97 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.5 -59.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.8 mt -37.75 -54.97 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -64.77 -49.51 70.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.2 mtp -46.09 -40.77 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.61 -33.86 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.52 -37.95 77.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.93 -53.11 61.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.11 -56.64 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -47.86 -20.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 56.5 t80 -94.88 -37.24 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 15.7 ptt180 -66.65 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.68 -20.87 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 ttm -82.6 -53.38 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 13.9 m-70 -77.53 -36.62 52.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.36 45.34 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 53' ' ' ILE . 29.7 m -108.56 179.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.06 110.94 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 5.1 mt -96.52 129.49 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 m -130.54 128.9 42.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -101.21 104.04 15.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -81.05 133.7 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.78 107.03 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 60' ' ' GLU . 18.7 mt -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 t -83.5 172.99 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 m -91.01 147.72 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.3 p -142.63 148.24 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.42 -169.77 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.76 169.36 19.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.53 3.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 22.1 p-80 -66.82 -50.04 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -107.96 115.18 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -103.24 124.89 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -104.96 126.09 51.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -93.28 129.87 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 m -102.45 147.3 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.83 157.0 43.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -145.29 155.09 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.31 152.8 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.22 114.12 14.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 29' ' ' VAL . 6.5 mt -117.68 122.24 69.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 61.55 46.69 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 59.8 27.05 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -105.05 140.7 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -99.06 109.6 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 40.5 m-85 -88.14 158.07 50.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.26 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.91 156.12 36.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -94.62 153.79 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.38 141.76 8.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -51.14 -58.92 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -106.23 154.23 21.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -42.73 -47.03 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.32 -44.49 75.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -55.47 -34.63 64.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.6 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -56.02 -47.79 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.35 -41.06 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.81 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -52.7 -48.41 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.33 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.6 -58.6 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.25 -42.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.8 -36.08 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -76.76 -56.01 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' ASP . 44.4 mt -39.86 -55.07 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' LEU . 9.1 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.88 -42.73 99.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.8 mtp -58.15 -28.72 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.39 -31.91 48.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -68.79 -32.89 72.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.52 -62.46 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -52.05 -27.78 14.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.94 -23.97 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 22.2 t80 -94.83 -23.04 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 14.0 ptt180 -72.0 -31.2 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 1.3 ptp -56.9 -44.7 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.689 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 24.3 m-70 -84.22 -45.73 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.32 35.0 3.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' CG2' ' A' ' 53' ' ' ILE . 29.1 m -97.5 -177.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 110.81 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 4.4 mt -97.22 128.37 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 m -128.79 132.46 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -105.21 103.79 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.89 153.23 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -107.09 107.08 17.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt -88.45 165.95 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -58.9 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 6.9 m -119.26 128.38 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.8 m -119.11 160.72 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -174.38 16.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.29 19.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 47.4 p-80 -58.81 -52.19 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -109.11 115.25 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -101.06 127.96 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 38' ' ' THR . 21.7 mmt85 -108.27 121.93 45.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -88.35 135.22 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 m -105.79 131.15 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -132.56 163.85 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -152.2 162.37 41.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 31' ' ' ILE . 97.8 t -120.47 152.65 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.15 117.07 18.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 58' ' ' PHE . 14.7 mt -119.73 128.42 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.06 41.99 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.89 27.74 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -104.69 144.08 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.91 112.44 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 53' ' ' ILE . 37.3 m-85 -90.78 157.84 43.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.76 104.79 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -48.65 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.25 158.65 39.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.93 152.86 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.86 137.7 6.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -39.86 -55.87 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 p -117.75 163.22 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.8 -47.57 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.73 -43.82 79.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.24 -33.9 68.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.93 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -50.66 -46.41 58.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.78 -48.97 79.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -56.85 -59.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -44.1 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.7 tttt -49.96 -46.6 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 59' ' ' PRO . 14.2 mt -67.5 -39.56 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.0 -63.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.2 t -46.08 -43.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.87 -35.47 68.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.0 mt -74.28 -52.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.32 -55.56 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 24.6 m-85 -54.08 -47.07 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.524 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 38.2 mmm -44.56 -45.85 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -30.33 70.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -76.19 -35.07 59.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.29 -56.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.38 -53.73 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -49.94 -21.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 t80 -94.8 -38.83 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 16.9 ptt180 -63.87 -42.94 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 2.1 pt20 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.568 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 43.4 ttp -75.9 -64.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.6 m-70 -62.87 -38.53 91.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.94 42.85 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 53' ' ' ILE . 27.0 m -108.39 163.72 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.2 113.63 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 8.7 mt -100.71 127.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -128.42 130.01 46.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CD2' HG23 ' A' ' 51' ' ' VAL . 67.8 m-85 -99.33 103.93 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -83.4 117.09 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.32 124.93 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 48' ' ' THR . 27.7 mt -100.76 168.62 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -70.38 175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.05 150.87 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -145.26 135.82 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.46 -171.23 23.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.76 169.61 18.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -32.71 17.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.463 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.3 p-80 -75.75 -53.65 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -108.88 115.18 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.4 132.39 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -108.98 117.85 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.77 121.95 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 36' ' ' LEU . 8.5 m -93.56 148.48 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' N ' HG21 ' A' ' 48' ' ' THR . 14.4 m-85 -147.16 165.6 29.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -154.8 151.39 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 33' ' ' TYR . 61.4 t -110.09 152.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.22 110.65 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 29' ' ' VAL . 6.9 mt -116.41 131.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' CD ' ' A' ' 55' ' ' GLU . 3.7 t70 54.14 47.79 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 3.4 mp0 56.65 34.51 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -112.5 139.57 47.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.77 108.37 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 38.9 m-85 -87.55 158.17 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 107.59 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -49.53 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.21 159.69 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -97.55 145.18 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.07 140.94 9.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -49.99 -53.73 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -109.22 163.05 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -50.19 -61.15 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.11 -44.38 91.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.03 -37.08 52.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.75 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -59.13 -43.06 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -63.68 -37.55 87.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.03 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.59 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.54 -37.28 77.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 55.2 tttm -49.56 -51.09 39.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.67 -61.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.5 t -48.28 -39.13 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.45 -36.04 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.7 -51.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.4 mt -43.91 -57.49 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 19.1 m-85 -54.74 -47.78 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.5 mtp -46.06 -42.17 13.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -32.85 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -71.63 -31.61 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.3 -57.31 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -49.48 -48.89 47.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.35 -21.09 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -94.97 -29.65 14.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 23.2 ptt85 -75.53 -30.59 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -88.97 -18.13 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 ttm -87.38 -51.35 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -80.82 -29.94 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.7 47.05 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 23.6 m -112.57 166.81 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 110.78 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' CG1' ' A' ' 51' ' ' VAL . 11.0 mt -98.36 133.66 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.7 m -131.63 137.51 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -105.92 103.82 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -85.53 127.46 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -83.02 129.39 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 60' ' ' GLU . 29.8 mt -106.35 169.17 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -62.1 -176.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -118.23 132.09 56.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 p -125.15 163.16 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.74 -172.72 14.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.74 169.98 17.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.98 2.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 29.2 p-80 -64.87 -49.24 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 46' ' ' ARG . 11.0 t70 -109.04 115.21 29.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -102.33 123.75 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 47.4 mmt-85 -102.93 114.74 29.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.489 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 16.7 m-85 -88.96 125.99 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.448 ' CG2' HD11 ' A' ' 36' ' ' LEU . 13.8 m -96.67 146.28 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 66' ' ' LYS . 16.2 m-85 -143.94 168.28 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -156.65 148.93 23.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 31' ' ' ILE . 87.9 t -108.23 154.49 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.4 110.73 11.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 58' ' ' PHE . 10.9 mt -113.48 130.83 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 54.99 39.24 31.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 64.16 32.58 12.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -110.98 135.02 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -90.01 108.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.6 m-85 -87.83 158.95 49.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 106.03 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.455 ' CB ' HD12 ' A' ' 36' ' ' LEU . 3.8 pm0 -48.36 175.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.25 160.7 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -99.03 156.73 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -163.83 137.7 4.9 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLY . 34.3 ttt180 -36.79 -60.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -119.86 158.14 27.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -39.21 -51.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -32.98 70.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.87 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.54 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.1 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -38.69 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.67 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 56.5 tttm -56.47 -48.78 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.38 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.77 -62.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.4 t -47.89 -41.27 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.61 -45.25 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LEU . 71.8 mt -65.15 -57.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ASP . 52.9 mt -37.99 -55.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 18.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -129.69 122.01 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -127.33 169.24 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.89 52.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -112.17 100.89 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -137.83 133.72 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.08 -89.38 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 mtm -72.45 -51.71 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.69 141.23 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -109.08 119.8 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.47 49.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 98.6 m -62.86 138.98 97.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.178 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.75 81.32 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.65 64.4 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.81 -56.71 13.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -60.57 -50.75 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.0 mtp -47.2 -29.05 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.68 -33.94 53.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -69.23 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.8 -62.02 2.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -49.08 -49.11 43.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -53.47 -21.55 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t80 -94.89 -40.95 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 12.5 ptt85 -60.14 -28.11 67.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -81.31 -52.27 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 mtm -56.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 27.9 m-70 -71.01 -49.92 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.55 41.87 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG22 ' CG2' ' A' ' 53' ' ' ILE . 28.6 m -104.66 171.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.06 112.87 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 3.3 mt -101.81 127.13 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -129.64 134.94 47.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CE2' HG23 ' A' ' 51' ' ' VAL . 13.2 m-85 -104.79 103.86 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -81.89 128.45 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -86.68 101.54 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 60' ' ' GLU . 11.9 mt -79.77 168.21 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -69.71 -176.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 m -101.95 141.64 34.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 m -135.76 132.47 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.07 -173.44 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 Cg_endo -69.79 169.85 18.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -35.84 11.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.2 p-80 -72.32 -52.48 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.438 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 3.8 t70 -108.88 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -101.96 132.3 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -115.28 118.16 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -87.32 125.25 34.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 49' ' ' PHE . 8.5 m -93.64 145.94 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.409 ' N ' HG23 ' A' ' 48' ' ' THR . 13.4 m-85 -146.0 158.95 43.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -151.58 156.33 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 HG23 ' CE2' ' A' ' 33' ' ' TYR . 93.7 t -114.5 154.56 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.22 113.24 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CG2' HG22 ' A' ' 29' ' ' VAL . 17.0 mt -115.69 126.28 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 58.32 45.16 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 61.04 29.29 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -106.64 146.26 30.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -102.99 112.24 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 39.5 m-85 -91.2 157.75 42.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 103.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 9.0 pt-20 -46.43 173.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.65 156.28 41.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -94.96 151.03 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.26 141.82 7.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -43.67 -59.49 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 t -118.94 164.22 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.66 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.38 -59.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -49.58 -35.26 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.45 -56.65 6.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -51.96 -47.72 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -57.4 -45.32 84.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.35 21.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.92 -38.31 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.88 -35.34 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.74 -47.53 67.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.01 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 t -51.16 -36.25 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mt -78.43 -54.49 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 84' ' ' GLU . 23.7 mt -41.61 -58.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t0 -36.62 -35.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -96.48 -31.65 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mm-40 52.12 33.76 12.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -98.09 80.95 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 150.37 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.8 t -99.41 135.08 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -56.47 131.21 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.63 -58.14 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.517 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 21.9 p-80 -87.65 115.97 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.2 m -85.59 116.62 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -60.67 104.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.73 -158.79 4.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -43.78 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 p -116.03 -37.19 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.509 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -154.96 168.2 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -87.21 95.61 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.86 -103.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -123.17 154.12 39.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -174.94 116.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.15 75.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.08 110.02 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.29 39.62 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.8 t -112.27 143.35 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -88.61 43.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.3 m -52.14 136.73 38.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.5 Cg_endo -69.78 -20.67 34.46 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.643 2.228 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.31 79.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -88.42 -58.72 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 42.3 m-85 -66.31 -57.38 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.0 mtp -40.7 -33.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.66 -37.42 62.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' TYR . 40.6 mtmt -65.98 -40.52 91.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.24 -61.35 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.38 -46.27 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -57.79 -22.49 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.4 t80 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 14.6 ptt85 -65.56 -41.38 93.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.4 -19.27 53.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.3 mmm -80.99 -48.61 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.9 m-70 -84.19 -48.72 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.16 46.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 14.6 m -110.39 176.49 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.39 112.21 20.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 3.1 mt -99.18 127.31 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -129.85 133.04 46.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -101.73 108.04 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -89.29 122.19 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 3.6 tm-20 -81.69 108.12 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.453 HD13 ' CG2' ' A' ' 48' ' ' THR . 26.9 mt -84.17 174.59 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.4 m -72.4 -175.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.19 148.89 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -144.91 142.56 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.45 -171.58 21.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.528 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.5 Cg_endo -69.8 169.83 18.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 10.0 p-80 -63.11 -52.23 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.06 115.19 29.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.69 118.29 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -97.4 120.41 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.5 126.52 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.453 ' CG2' HD13 ' A' ' 36' ' ' LEU . 17.5 m -95.49 150.04 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 13.1 m-85 -149.35 168.26 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.22 148.75 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' CG1' ' CG2' ' A' ' 31' ' ' ILE . 47.1 t -109.63 153.37 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.03 111.3 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.478 HD13 ' CE1' ' A' ' 58' ' ' PHE . 11.6 mt -114.76 134.47 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.22 44.47 28.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.05 27.8 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 25.4 ttmt -105.1 142.76 34.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -99.81 110.1 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 38.1 m-85 -89.0 158.08 47.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 108.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.91 177.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.82 162.22 38.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -97.65 153.37 18.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 128.9 2.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -38.9 -63.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.4 t -103.16 146.69 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' SER . 26.5 mmtp -36.17 -53.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.78 -59.45 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -41.04 -38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . . . -60.95 -47.48 86.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -53.74 -43.16 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.17 -41.22 96.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -63.11 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.79 -41.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 35.6 tttm -49.59 -50.09 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.8 mt -64.55 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.558 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.71 -64.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.9 t -45.0 -39.48 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.35 -48.22 81.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.06 -54.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 28.3 mt -45.27 -51.63 10.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -38.2 -35.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -101.56 -29.27 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 54.33 39.02 30.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 30.0 t30 41.44 34.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' ASN . 6.0 ttmm 37.15 43.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.11 172.38 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -39.53 126.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.26 -53.62 6.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -83.94 145.91 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 p -55.05 164.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -152.52 145.03 24.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.08 81.95 1.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.13 49.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.282 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -87.0 121.01 28.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -141.29 105.34 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -98.05 139.76 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -118.34 42.16 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.16 -173.06 15.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 p -68.8 95.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -40.46 -61.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -143.7 -43.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 6.6 ttt -34.65 115.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.04 112.71 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.7 p -62.03 172.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.93 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 95.2 m -86.49 139.09 33.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.81 81.49 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.76 61.58 1.05 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.503 ' CE1' ' HE2' ' A' ' 19' ' ' LYS . 16.3 t80 -85.44 -46.85 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -75.46 -51.04 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 73.5 mtp -47.24 -36.95 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -38.2 89.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 25.4 mttt -63.83 -47.88 79.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 53' ' ' ILE . 11.1 mt -49.08 -60.97 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -52.03 -35.29 46.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -69.68 -24.44 63.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.3 t80 -94.91 -28.18 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 19.0 ptt85 -72.39 -34.0 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.45 -31.17 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -71.41 -57.38 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 17.2 m-70 -72.92 -52.61 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 35.7 m -110.38 162.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 115.5 30.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 14.9 mt -98.8 129.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.7 m -130.44 129.35 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.448 ' CD2' HG23 ' A' ' 51' ' ' VAL . 22.7 m-85 -100.51 103.75 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -83.77 124.45 30.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -80.51 120.26 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 48' ' ' THR . 17.0 mt -100.75 173.53 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -71.24 176.39 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 26.6 m -115.62 135.3 54.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -132.47 132.85 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.57 30.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.482 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.95 17.67 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.9 p-80 -57.23 -52.72 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.08 115.19 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.77 112.66 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.469 ' O ' ' CG2' ' A' ' 38' ' ' THR . 38.2 mmt180 -87.13 113.23 22.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 76.0 m-85 -92.05 123.76 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.452 HG21 ' CD1' ' A' ' 36' ' ' LEU . 15.1 m -91.3 141.11 29.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 19.6 m-85 -141.41 159.35 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -150.62 143.59 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG23 ' CD2' ' A' ' 33' ' ' TYR . 87.2 t -105.29 154.71 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.17 116.93 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 HD11 ' CD2' ' A' ' 20' ' ' LEU . 11.3 mt -118.79 136.26 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 49.22 41.17 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 63.44 36.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -114.98 144.62 43.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.47 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.4 m-85 -90.31 158.41 43.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.828 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 108.72 2.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.02 178.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.5 158.14 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -94.4 155.65 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.81 144.12 11.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -46.1 -57.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.2 p -117.78 152.01 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 5.4 mmmt -34.67 -53.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -63.72 -48.26 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -50.96 -37.62 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . . . -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.18 -44.15 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.22 -46.59 88.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.83 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -39.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.41 78.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 37.7 tttp -49.36 -46.55 47.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.2 mt -66.32 -39.19 89.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.82 -62.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -49.79 -40.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.83 -37.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.41 -54.26 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 83' ' ' ASN . 33.3 mt -45.82 -54.94 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' LEU . 39.3 t0 -37.25 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.2 m-20 -106.78 -28.8 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.5 mt-10 52.9 34.4 16.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' LYS . 7.6 m-20 -102.19 42.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 86' ' ' LYS . 8.1 tmtm? -37.31 125.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -53.71 107.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -97.72 77.89 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.82 102.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -74.81 130.66 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 t -143.56 160.92 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -66.13 147.18 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.0 158.55 10.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 95.57 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -127.08 96.13 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 61.29 51.2 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -151.34 121.72 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 p -99.3 117.68 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.04 -123.25 0.64 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -125.13 138.33 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -157.29 138.64 13.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.88 102.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 -177.25 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.76 60.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -98.43 177.62 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 71.9 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.463 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -72.91 137.06 79.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.584 0.707 . . . . 0.0 111.138 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.77 -17.68 37.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.15 81.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.83 -68.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 26.7 m-85 -49.22 -52.32 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.2 mtp -44.56 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -31.06 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -71.59 -34.34 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 74' ' ' ALA . 14.9 mt -61.66 -49.86 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.89 -56.18 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -49.44 -21.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.94 -30.86 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 14.0 ptt180 -75.39 -28.23 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.06 -23.98 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 9.7 ptm -82.85 -44.69 15.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' MET . 17.6 m-70 -83.11 -27.37 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.24 47.66 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 31.2 m -112.58 -179.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.31 111.07 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.422 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 11.3 mt -98.49 131.92 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -130.54 129.56 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CE2' HG23 ' A' ' 51' ' ' VAL . 18.7 m-85 -99.74 104.02 15.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -84.62 135.38 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -91.09 121.12 32.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 48' ' ' THR . 15.7 mt -97.02 176.9 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -71.57 -175.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 m -113.46 151.36 31.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -144.91 162.97 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.58 -171.4 13.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.526 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.79 169.91 17.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.08 3.69 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.526 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 23.4 p-80 -65.61 -52.6 50.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 7.6 t70 -109.0 115.12 29.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -101.77 132.11 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -106.51 123.89 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -94.84 127.39 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' HD12 ' A' ' 36' ' ' LEU . 8.8 m -100.18 139.49 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.6 162.37 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -150.68 146.24 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG23 ' CE2' ' A' ' 33' ' ' TYR . 99.8 t -106.61 154.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.19 110.18 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 58' ' ' PHE . 6.7 mt -114.49 122.97 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t0 63.24 42.82 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 62.01 25.63 15.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 23.1 ttmt -103.43 141.9 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.57 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' ' HD2' ' A' ' 56' ' ' LYS . 37.0 m-85 -84.76 158.29 59.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.731 0.777 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.83 174.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.6 158.97 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -99.02 151.88 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.47 134.03 3.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -39.18 -56.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -113.59 160.85 18.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -40.58 -45.73 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.33 -53.5 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -44.99 -34.31 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.56 -47.94 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.22 -47.35 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.16 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 20' ' ' LEU . . . -70.11 -31.21 68.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 59.3 tttt -57.68 -49.23 77.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.7 mt -63.58 -37.63 88.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.73 -59.49 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.1 t -51.34 -35.78 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.52 -40.12 93.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.27 -52.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' GLU . 32.2 mt -42.42 -56.96 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -35.73 -34.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' LEU . 8.4 t-20 -102.03 -28.42 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' LEU . 2.5 mm-40 53.44 35.34 20.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 20.9 t-20 52.66 43.33 31.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -104.69 94.76 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.8 m -57.33 146.77 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -86.08 82.82 7.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.37 148.7 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -87.08 90.74 8.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 p -102.15 130.32 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -75.97 128.31 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.21 -158.16 11.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.33 27.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.3 t -107.34 -49.08 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.7 p 45.29 39.91 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -58.73 134.35 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -62.32 -56.39 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.39 137.25 25.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -71.56 134.77 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -103.58 128.51 50.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 -111.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -89.98 -53.85 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 143.44 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -93.46 147.95 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 9.5 p-10 -105.77 82.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.8 m -103.45 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.541 0.686 . . . . 0.0 111.159 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.8 96.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.04 76.95 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -90.9 -54.07 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -66.02 -51.31 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.2 mtp -42.93 -42.73 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.96 -39.74 90.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -62.55 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 12.2 mt -50.54 -54.21 24.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -52.37 -60.22 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -45.59 -21.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.4 t80 -93.63 -34.79 13.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 24.8 ptt85 -70.1 -30.38 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.66 -26.4 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.2 ttp -78.14 -57.35 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.702 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 45.3 m-70 -72.37 -35.46 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.51 48.2 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 19.3 m -113.52 177.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 111.16 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG23 ' CG1' ' A' ' 51' ' ' VAL . 4.0 mt -97.96 130.65 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -129.24 136.16 49.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.28 105.33 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -86.24 122.97 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.39 110.18 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.6 mt -85.78 168.69 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 t -68.22 -174.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.435 HG22 ' CD ' ' A' ' 45' ' ' ARG . 20.1 m -110.61 141.75 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -137.7 135.02 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.68 -168.15 25.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 169.51 18.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.65 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 45.2 p-80 -73.49 -48.65 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.2 t0 -107.49 115.07 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.435 ' CD ' HG22 ' A' ' 38' ' ' THR . 19.1 mmt85 -106.61 119.94 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -97.42 114.29 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' CD1' ' HE2' ' A' ' 66' ' ' LYS . 27.2 m-85 -87.35 115.68 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.44 HG22 ' N ' ' A' ' 49' ' ' PHE . 10.7 m -87.61 148.1 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.533 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 18.7 m-85 -144.56 165.45 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -155.46 146.92 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 31' ' ' ILE . 69.1 t -108.04 152.95 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.26 110.17 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.2 mt -111.5 124.2 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 59.25 45.58 13.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 61.89 26.1 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -101.56 148.12 25.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -105.2 108.45 19.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 37.4 m-85 -89.45 158.05 46.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 106.54 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -45.79 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.31 158.76 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -97.74 143.55 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.22 135.32 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 8.4 ttp-105 -38.51 -56.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -116.28 164.79 13.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.508 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mmtt -43.69 -54.77 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ARG . 4.9 mt-30 -61.26 -63.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLN . 3.7 tp10 -35.4 -39.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HB1' ' CD1' ' A' ' 49' ' ' PHE . . . -61.65 -49.32 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' GLN . 84.2 mtt180 -49.75 -43.35 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -42.33 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.83 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.44 70.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -71.29 -33.81 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -52.73 -47.29 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.36 -37.38 85.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.512 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.99 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.1 t -45.54 -39.83 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.24 85.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.01 -48.03 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' ASN . 40.1 mt -49.71 -52.45 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -39.64 -27.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.1 t-20 -108.28 -28.35 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' HE3' ' A' ' 86' ' ' LYS . 21.1 mt-10 54.99 37.03 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -92.32 79.48 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' N ' ' HE2' ' A' ' 86' ' ' LYS . 0.1 OUTLIER -70.31 87.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.12 148.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -47.75 129.5 14.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 25.2 p -128.65 -41.35 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -48.63 164.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -79.65 127.61 32.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -134.7 166.61 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.93 -93.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.26 18.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.7 p -64.34 102.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -54.3 -50.64 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 50.33 41.94 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 t -111.54 96.25 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.06 171.19 23.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -115.67 169.88 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -48.79 123.87 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.91 77.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tpt -123.56 84.38 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.27 160.96 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.2 p -90.86 141.35 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -83.02 51.45 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.1 m -149.31 136.91 11.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.9 Cg_endo -69.79 -7.13 20.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.272 . . . . 0.0 112.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.08 76.01 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -84.96 -51.76 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.4 m-85 -68.6 -56.69 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.3 mtp -41.95 -41.58 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.27 -36.7 84.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 16' ' ' TYR . 33.7 mtmt -64.3 -39.87 94.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD12 ' CB ' ' A' ' 74' ' ' ALA . 17.2 mt -59.49 -53.63 55.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.7 -41.2 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -62.14 -22.22 65.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 30.4 t80 -94.93 -36.82 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.471 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 20.3 ptt85 -62.91 -35.56 80.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.94 -18.91 35.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 mmm -81.22 -46.99 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.7 m-70 -86.51 -38.02 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.6 44.44 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 19.2 m -109.04 172.97 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.96 113.01 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG23 ' CG1' ' A' ' 51' ' ' VAL . 7.9 mt -99.53 129.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -129.74 128.15 41.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CD2' HG21 ' A' ' 51' ' ' VAL . 9.9 m-85 -97.68 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -83.84 132.39 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.15 117.61 28.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.409 HD11 ' CG2' ' A' ' 48' ' ' THR . 13.8 mt -93.9 173.79 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 t -74.65 173.91 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.455 HG21 ' CD ' ' A' ' 45' ' ' ARG . 24.6 m -96.87 136.03 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -132.58 120.9 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.29 -168.02 33.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.424 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.73 168.84 20.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.474 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 54.1 p-80 -60.22 -51.22 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.474 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.7 t70 -108.86 115.19 29.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.455 ' CD ' HG21 ' A' ' 38' ' ' THR . 16.7 mmt85 -101.53 118.79 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -95.36 119.46 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.13 125.31 34.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 49' ' ' PHE . 31.1 m -96.48 144.12 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.459 ' N ' HG21 ' A' ' 48' ' ' THR . 12.3 m-85 -142.09 161.04 38.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -152.63 149.25 28.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 33' ' ' TYR . 97.2 t -109.48 153.77 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.36 110.76 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HD13 ' CE1' ' A' ' 58' ' ' PHE . 9.4 mt -113.63 131.5 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 54.09 43.65 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 62.58 24.99 14.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -102.26 146.48 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.64 108.71 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -89.11 158.31 46.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -49.08 178.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.26 156.86 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.19 142.53 30.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.59 133.9 4.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 14.7 ttp-105 -44.57 -51.56 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -109.33 164.28 12.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -53.7 -47.64 70.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -60.87 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 14.4 tt0 -41.45 -39.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -61.81 -46.8 87.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -57.0 -45.66 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.08 -40.9 86.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.76 -65.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.86 -33.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' CB ' HD12 ' A' ' 20' ' ' LEU . . . -69.66 -36.29 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.095 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.4 tttt -53.39 -46.56 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.37 -36.0 76.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.87 -62.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -47.96 -41.37 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.62 -44.99 81.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.19 -43.07 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.19 -40.93 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -37.36 86.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.31 -34.07 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.9 -25.51 57.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 86' ' ' LYS . 4.5 t-20 -100.79 76.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASN . 32.6 ttpt -36.08 124.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.15 139.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.92 99.27 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.5 m -149.54 126.61 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.97 109.68 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -151.34 141.13 21.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -45.75 -57.97 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.24 72.05 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.54 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 t -66.25 166.56 11.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.7 p -144.04 175.36 10.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -68.54 136.14 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -89.52 112.37 23.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.92 -121.99 1.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 55.57 43.48 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -95.0 -53.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.21 146.28 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -109.32 157.21 19.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.97 -44.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.0 m -113.33 -62.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' SER . 2.6 m-20 36.68 32.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -65.2 136.59 96.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.149 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.73 -2.73 10.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.417 ' HA2' ' ND2' ' A' ' 71' ' ' ASN . . . 161.77 80.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -89.85 -50.57 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -63.71 -50.92 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.2 mtp -46.93 -33.72 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.02 -34.44 50.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -65.47 -32.33 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.55 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -50.01 -25.61 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -78.54 -29.63 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.1 t80 -88.64 -26.29 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 21.5 ptt85 -68.74 -40.27 79.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.13 -21.27 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.6 mmm -76.83 -43.43 36.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 20.7 m-70 -90.7 -47.32 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.92 38.95 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 18.3 m -103.4 174.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 111.12 20.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.8 mt -99.12 128.03 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 m -131.31 134.16 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.0 103.79 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -86.48 139.21 31.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -97.43 126.19 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.92 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -69.13 -177.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 HG21 ' CD ' ' A' ' 45' ' ' ARG . 10.0 m -103.52 116.76 32.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -108.65 118.5 36.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -172.42 34.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.499 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.37 2.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 14.9 p-80 -66.16 -48.33 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.01 115.36 29.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.443 ' CD ' HG21 ' A' ' 38' ' ' THR . 28.2 mmt180 -102.89 124.29 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -104.17 123.67 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -88.68 119.16 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 m -93.74 146.0 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -144.1 165.58 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -155.32 157.09 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 52' ' ' LEU . 57.0 t -115.96 154.07 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 5.3 mp -131.35 115.41 16.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -120.56 124.57 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t0 60.18 41.89 16.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.76 24.92 13.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 28.1 ttmt -104.92 134.8 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.44 112.14 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 26.8 m-85 -89.29 158.9 45.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -48.0 176.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.17 160.8 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -99.89 148.16 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.54 138.09 6.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -42.34 -57.09 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.4 p -114.68 157.88 22.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -40.64 -42.96 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -69.57 -48.82 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.44 -35.19 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.7 -52.24 58.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -51.26 -43.54 61.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.417 ' ND2' ' HA2' ' A' ' 14' ' ' GLY . 8.2 t-20 -61.59 -56.38 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.9 -47.55 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.7 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.19 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -54.43 -49.94 68.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.96 -34.59 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.99 -61.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.8 t -52.12 -35.16 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.52 -45.46 93.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.415 HD13 ' CE2' ' A' ' 58' ' ' PHE . 48.3 mt -64.15 -54.66 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' ASN . 30.9 mt -46.17 -53.51 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 34.9 t70 -37.37 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.4 m120 -106.02 -29.53 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 50.04 26.94 2.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -114.67 47.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -86.51 106.65 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.98 137.88 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -77.68 143.94 37.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.7 m -89.68 -46.32 8.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -136.04 130.8 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 t -57.84 156.18 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -168.89 168.12 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.62 -160.46 18.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -24.2 29.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.7 p -44.08 -60.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.81 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -99.8 88.03 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.548 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -84.94 -47.84 9.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -70.99 124.5 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.09 -104.92 2.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -59.37 98.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -128.9 84.16 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 52.76 40.51 56.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 36.88 41.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 118.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -113.46 154.8 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -107.04 84.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.46 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 95.5 m -114.98 138.96 23.7 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.79 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.4 67.47 1.61 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -67.96 -49.51 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 41.5 m-85 -60.59 -59.29 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' TYR . 87.8 mtp -37.57 -40.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.61 -42.99 85.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' TYR . 39.1 mtmt -58.21 -36.53 73.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' CD2' HD11 ' A' ' 53' ' ' ILE . 10.9 mt -60.01 -62.44 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -50.71 -47.38 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -55.16 -22.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.9 t80 -94.93 -38.83 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 17.8 ptt85 -63.65 -35.77 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.57 -16.52 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.1 ttp -88.89 -62.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 12.8 m-70 -68.43 -45.62 72.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.71 49.68 0.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 26.9 m -116.76 167.31 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.47 115.63 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 1.5 mt -102.85 127.19 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -128.6 132.12 48.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CE2' HG23 ' A' ' 51' ' ' VAL . 22.1 m-85 -102.45 103.86 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -83.2 130.61 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -88.42 104.95 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 HD13 ' CB ' ' A' ' 60' ' ' GLU . 31.6 mt -78.01 -177.48 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -81.47 -179.3 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -108.84 117.64 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t -112.98 148.06 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.5 -176.25 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.65 18.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -37.97 8.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 36.8 p-80 -68.33 -52.59 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 t70 -109.15 115.18 29.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -102.28 128.54 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -106.31 119.43 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CG ' ' HD3' ' A' ' 66' ' ' LYS . 23.8 m-85 -89.41 114.51 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.3 m -89.38 142.94 27.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -142.65 164.88 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -157.0 151.78 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG23 ' CE2' ' A' ' 33' ' ' TYR . 86.3 t -113.73 153.85 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.25 111.57 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.5 mt -113.39 127.1 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 t70 56.8 46.33 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.89 25.28 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -102.34 146.92 27.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.72 110.7 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 53' ' ' ILE . 39.0 m-85 -90.55 157.9 43.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 109.83 2.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' CB ' HD13 ' A' ' 36' ' ' LEU . 3.9 pm0 -50.26 -178.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.24 160.41 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -99.7 149.92 22.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -151.76 128.82 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -38.21 -58.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -102.18 149.1 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD3' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -42.88 -48.93 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.74 -50.04 59.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -46.56 -38.66 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.04 91.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -53.01 -44.96 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -59.3 -51.65 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.84 -56.97 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.14 -38.72 18.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' CB ' HD11 ' A' ' 20' ' ' LEU . . . -68.2 -35.45 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -51.5 -50.78 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.69 -36.87 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.07 -60.52 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 97.6 t -50.21 -37.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.45 -43.92 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.8 mt -68.02 -60.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' ILE . 46.6 mt -34.64 -52.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -41.17 -49.03 3.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -82.73 -30.23 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 47.46 25.22 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -126.12 93.02 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -66.16 135.18 54.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -59.04 176.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.5 52.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 77.1 m -128.11 144.27 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -112.39 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.34 161.76 40.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.7 p -112.24 161.79 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.71 83.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -20.9 34.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.2 p -142.79 149.57 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.4 t -148.71 158.49 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -148.62 168.0 23.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -87.82 41.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.93 124.76 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -128.13 128.06 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -70.39 122.18 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.31 117.83 6.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpp -174.79 131.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.73 112.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.3 m -139.87 -177.38 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -95.7 32.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.4 m -41.93 136.69 2.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.79 -30.69 21.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.57 84.66 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.19 -63.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LYS . 36.1 m-85 -67.36 -50.41 59.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.3 mtp -45.42 -28.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.6 -31.7 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' TYR . 35.0 mtmt -71.87 -35.21 69.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.12 -56.37 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -51.4 -57.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.99 -21.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 21.5 t80 -93.97 -36.7 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -67.76 -36.72 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.97 -14.91 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.6 ttp -88.55 -55.74 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 38.2 m-70 -75.73 -36.75 59.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.85 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 ' CG2' ' A' ' 53' ' ' ILE . 33.6 m -113.49 165.24 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.74 113.05 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mt -98.53 128.73 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -128.22 133.0 48.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -100.99 105.68 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -87.11 128.84 35.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -85.8 127.47 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.73 163.38 13.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -63.15 176.45 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 m -102.87 138.47 39.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.4 p -130.2 129.91 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.07 -173.25 26.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.549 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.75 169.71 18.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.95 2.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 7.5 p-80 -62.98 -55.01 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.2 m-20 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -100.81 134.6 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -113.27 117.95 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.38 127.01 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.468 HG21 ' N ' ' A' ' 49' ' ' PHE . 19.1 m -98.19 146.23 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' N ' HG21 ' A' ' 48' ' ' THR . 11.7 m-85 -144.14 164.11 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -155.14 145.21 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 52' ' ' LEU . 91.5 t -104.41 154.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.24 110.83 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 ' CG2' HG22 ' A' ' 29' ' ' VAL . 18.7 mt -114.34 137.26 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t0 49.62 42.02 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 61.23 34.57 18.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -112.56 140.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.55 107.14 19.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.7 m-85 -86.51 158.58 54.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.693 0.758 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 108.39 2.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -47.98 176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.81 157.16 38.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -95.78 147.5 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.75 140.34 8.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -45.26 -60.49 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 22.8 t -107.07 163.82 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -47.13 -58.4 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -59.15 -51.08 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -45.46 -40.15 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.29 86.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -52.64 -42.92 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -61.63 -53.39 56.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 -57.11 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.36 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.99 79.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -51.87 -47.01 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.82 -40.79 92.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.39 -64.38 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.8 t -46.49 -37.11 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.43 -40.77 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mt -70.94 -45.03 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.31 -53.25 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.25 -45.94 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -51.71 -32.93 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.83 -26.58 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -116.6 84.27 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.04 146.08 26.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.8 153.16 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.08 -51.12 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.45 84.37 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 177.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.6 t -78.05 143.5 37.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 m -50.24 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.88 83.42 1.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 143.82 51.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 t -169.61 126.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.9 p -63.17 110.94 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -113.22 157.14 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -124.32 90.14 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.34 108.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -137.68 153.89 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -84.57 167.41 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.68 55.7 28.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -57.83 115.07 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.02 170.0 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -83.8 133.83 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.11 88.5 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 2.4 m -63.57 136.43 96.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.77 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.54 81.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -87.57 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.87 -48.02 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.1 mtp -49.66 -31.85 11.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.53 -31.07 53.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -70.5 -32.05 69.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.4 mt -67.19 -55.63 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -52.85 -54.66 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -50.55 -21.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.1 t80 -94.52 -36.59 11.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -67.06 -41.4 86.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -75.13 -20.33 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 ttp -86.44 -54.94 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.2 m-70 -72.17 -40.98 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.91 45.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 HG23 ' CG2' ' A' ' 53' ' ' ILE . 34.5 m -115.93 158.09 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.5 110.87 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' CG2' ' CG1' ' A' ' 51' ' ' VAL . 4.2 mt -99.3 130.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -130.5 129.55 43.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -92.32 103.75 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 21.8 tptt -74.58 136.64 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.25 100.93 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.81 162.28 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -67.0 -177.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.74 139.69 32.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -134.97 125.91 27.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.04 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.56 4.21 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.5 p-80 -67.26 -54.07 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.3 m-20 -109.08 115.26 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -103.31 124.93 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 -103.71 121.04 42.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -86.05 124.14 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.7 m -94.27 142.08 27.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.495 ' CD1' ' HB2' ' A' ' 69' ' ' ALA . 20.2 m-85 -142.55 165.69 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -163.23 142.4 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' ' CG2' ' A' ' 31' ' ' ILE . 70.9 t -95.73 154.48 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' CD1' ' HB2' ' A' ' 34' ' ' LYS . 5.2 mp -131.37 110.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' CG2' HG23 ' A' ' 29' ' ' VAL . 10.1 mt -113.8 138.47 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 45.48 45.28 10.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 60.93 29.0 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -105.32 135.88 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.54 110.27 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 77' ' ' ALA . 37.2 m-85 -86.47 158.87 54.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 102.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -44.97 170.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.19 164.5 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -98.07 146.74 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.73 131.73 3.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.4 -52.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.8 p -122.7 161.11 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -42.52 -47.55 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' ' C ' ' A' ' 67' ' ' GLN . 1.7 tm0? -67.46 -52.61 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.8 -32.66 14.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 49' ' ' PHE . . . -69.67 -43.92 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -54.61 -45.67 73.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.79 -51.98 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.31 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.08 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -56.02 -49.63 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.7 -36.59 84.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.569 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.45 -60.21 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.9 t -50.06 -36.25 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.13 -43.54 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.84 -50.65 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.5 mt -45.75 -53.68 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.57 -51.4 6.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -68.78 -32.13 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -24.6 48.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.78 83.27 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -44.74 117.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.25 147.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.61 147.17 24.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 86.1 m -86.19 141.16 29.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 89' ' ' CYS . 12.3 m80 -172.0 131.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 p -109.78 139.08 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 m -69.77 -60.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.56 147.36 4.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -10.48 28.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t -41.24 125.89 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -77.04 171.29 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -141.3 123.78 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -49.42 -37.15 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.8 140.76 6.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -134.9 111.23 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -47.7 -54.02 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.18 -107.45 2.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 tpt 49.75 42.21 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.2 97.51 5.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 t -97.35 174.26 6.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.77 77.22 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 4.7 m -82.05 135.48 48.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 111.162 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 54.0 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.09 68.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -87.07 -69.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -48.0 -50.13 28.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.7 mtp -48.51 -35.19 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.35 -31.49 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -70.3 -30.36 67.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 17.9 mt -69.52 -58.17 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -52.02 -31.07 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -75.06 -23.45 58.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 5.3 t80 -94.84 -27.18 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 26.6 ptt85 -68.53 -36.33 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.96 -38.73 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.476 ' HE1' ' CD2' ' A' ' 27' ' ' HIS . 7.9 tmm? -62.27 -61.44 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.613 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.2 m-70 -69.62 -40.06 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.89 45.35 2.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 16.0 m -106.71 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.19 111.43 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 9.2 mt -99.05 129.43 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -130.9 130.81 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.442 ' CE2' HG22 ' A' ' 51' ' ' VAL . 12.3 m-85 -100.75 104.1 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -85.3 135.04 34.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 48' ' ' THR . 15.6 mt -92.63 177.83 5.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -71.35 -176.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.59 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -129.76 151.23 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.64 -174.01 18.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.521 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.4 p-80 -60.28 -55.43 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.463 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 9.4 t70 -108.98 115.19 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -101.07 130.87 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -107.85 119.43 39.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 14.7 m-85 -89.34 123.82 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 36' ' ' LEU . 12.1 m -93.08 140.92 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.0 161.33 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.25 152.53 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.452 ' CG1' HG21 ' A' ' 31' ' ' ILE . 96.6 t -112.93 152.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.5 mp -131.16 111.84 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 HD11 ' CZ ' ' A' ' 58' ' ' PHE . 10.5 mt -113.58 123.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.79 43.01 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.86 29.52 14.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -104.61 148.55 26.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.93 105.95 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 43.9 m-85 -86.91 157.84 54.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.692 0.758 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 105.78 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 174.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.83 158.06 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -97.6 148.39 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.09 159.35 28.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -64.55 -51.32 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -117.84 156.93 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HE3' ' CD1' ' A' ' 47' ' ' PHE . 27.1 mmtp -40.18 -49.79 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.45 -53.84 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -43.96 -38.81 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.48 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -46.35 -46.56 18.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.08 -49.69 74.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.47 -47.21 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.43 86.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 19.8 tttm -50.15 -51.16 45.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -63.41 -38.18 90.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.62 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -49.39 -46.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -36.49 66.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.91 -56.06 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.2 mt -42.43 -53.34 4.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' LEU . 7.0 t70 -36.42 -38.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -98.25 -29.27 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.95 42.47 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -75.44 66.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -57.5 143.95 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 86' ' ' LYS . 26.8 m -36.44 121.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.16 145.08 54.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 26.7 p -124.88 175.14 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.82 108.79 21.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -97.83 112.95 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 t -82.25 114.72 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.18 163.21 21.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.4 Cg_endo -69.74 2.34 3.62 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.344 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' PRO . 20.4 m -37.14 117.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -85.37 -53.02 5.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -127.72 165.7 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.364 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -114.64 158.58 21.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.37 -152.1 17.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -78.0 126.2 30.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.73 124.58 5.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpp -173.27 151.6 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.81 142.0 28.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -127.5 156.72 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -121.31 85.67 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 7.0 m -98.11 136.51 20.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.77 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.86 69.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.98 -54.12 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.42 -41.43 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 74.8 mtp -52.95 -27.85 20.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.06 -37.49 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -68.65 -26.98 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.5 mt -65.83 -60.29 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.35 -44.99 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.59 -22.48 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 21.9 t80 -94.98 -32.05 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.467 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 7.2 ptt85 -71.68 -29.04 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -84.16 -29.69 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -77.19 -57.77 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.556 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.1 m-70 -71.33 -31.81 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.35 48.09 3.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 16.7 m -113.41 171.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.33 117.05 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.69 125.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -127.33 129.77 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.414 ' CE2' HG23 ' A' ' 51' ' ' VAL . 6.4 m-85 -99.45 106.81 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -87.34 143.64 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -99.95 119.66 38.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 mt -97.0 -178.31 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -76.22 178.06 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 m -104.95 125.58 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -120.06 146.03 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.7 -171.45 22.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.72 168.6 21.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.82 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.6 p-80 -61.43 -51.97 66.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.36 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -102.13 122.45 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -102.56 123.57 46.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -89.79 126.31 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 49' ' ' PHE . 88.6 m -97.96 144.83 27.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' N ' HG21 ' A' ' 48' ' ' THR . 12.1 m-85 -142.52 168.24 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -155.74 156.38 34.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 HG23 ' CE2' ' A' ' 33' ' ' TYR . 75.7 t -117.06 153.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.2 112.18 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.1 mt -114.3 118.28 58.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 65.03 45.97 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 60.96 24.99 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 36.6 tttp -102.0 142.67 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -100.1 108.55 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.553 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 35.3 m-85 -88.31 158.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.61 -179.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.6 158.52 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -96.5 143.33 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.92 131.48 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 55.9 mtp180 -35.42 -60.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -110.13 171.92 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.76 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -71.24 -46.68 60.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.76 -35.87 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.28 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -49.92 -44.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -64.43 -43.87 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -54.86 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.63 -32.43 18.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.19 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -60.74 -45.5 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.2 mt -66.48 -38.15 86.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.553 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.25 -62.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -45.64 -36.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.79 -47.65 82.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.81 -50.43 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -46.48 -52.7 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -45.88 -48.83 15.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.4 -32.25 69.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.94 -23.13 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -60.86 -48.06 83.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -85.41 120.05 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 88' ' ' ASP . 10.7 p -79.0 148.86 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' N ' HG22 ' A' ' 87' ' ' VAL . 10.7 t70 -146.58 153.5 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 28.7 p -96.57 40.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -80.79 -44.37 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -71.45 115.2 10.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -76.28 132.61 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.74 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -29.89 23.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 t -100.31 109.27 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.9 p -42.64 109.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -128.11 104.19 7.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -112.63 92.78 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.72 48.86 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -55.96 154.97 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -57.34 153.96 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.79 -92.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -122.68 -33.5 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.77 122.34 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -63.34 165.53 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -174.5 112.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.6 m -87.43 134.23 36.63 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.598 0.714 . . . . 0.0 111.13 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 81.62 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 63.02 1.98 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.85 -51.12 68.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 40.7 m-85 -64.21 -52.69 57.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.5 mtp -40.33 -47.88 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 16' ' ' TYR . 37.0 mtmt -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' CD2' HD13 ' A' ' 53' ' ' ILE . 11.8 mt -55.23 -59.3 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -52.9 -33.47 50.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -70.5 -23.17 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.0 t80 -94.88 -33.46 12.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.449 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 13.4 ptt180 -63.3 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -87.69 -40.57 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.4 ttm -61.5 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.79 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 23.0 m-70 -78.22 -47.22 18.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 47.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 27.8 m -114.25 167.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.79 110.42 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 HG21 ' CG1' ' A' ' 51' ' ' VAL . 31.2 mt -92.32 135.23 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.2 m -133.2 128.91 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 51' ' ' VAL . 34.2 m-85 -103.02 103.82 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -85.35 123.37 30.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.8 118.32 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 HD12 ' CG2' ' A' ' 48' ' ' THR . 58.8 mt -92.56 168.27 11.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.8 m -73.35 167.41 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -93.85 145.66 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.4 m -140.81 135.24 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -170.04 24.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.74 169.86 17.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.88 2.97 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.476 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.6 p-80 -66.96 -52.0 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 15.0 t0 -109.11 115.24 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -110.54 127.92 55.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -101.3 115.79 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.1 120.32 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.463 ' CG2' HD12 ' A' ' 36' ' ' LEU . 5.4 m -95.52 144.7 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -145.44 168.85 19.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.12 147.76 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.561 HG21 ' CE2' ' A' ' 33' ' ' TYR . 47.2 t -109.33 154.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.31 113.13 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 58' ' ' PHE . 12.5 mt -114.13 124.78 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t0 59.88 43.66 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 61.52 34.66 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 21.7 ttmt -110.59 149.3 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -104.55 108.57 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -89.13 158.26 46.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.693 0.758 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 108.53 2.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.494 ' CD ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -48.74 178.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.42 158.42 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -95.12 145.33 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.1 130.8 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLY . 19.4 ttp180 -34.63 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.833 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -111.75 171.57 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -51.84 -39.73 59.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -42.83 -38.55 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.18 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -52.82 -44.7 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -66.1 -49.0 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.93 -37.42 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.75 85.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 81.3 tttt -49.26 -48.27 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.29 -34.99 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.28 -63.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.3 t -46.68 -41.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -52.83 -49.22 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.3 -48.08 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.9 mt -57.29 -43.91 83.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -42.4 -33.55 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -106.48 -28.13 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 51.29 33.93 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -100.41 45.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -114.96 137.92 51.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.82 143.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.18 154.4 31.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 26.7 p -68.73 121.85 17.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.481 ' CE1' ' OG1' ' A' ' 91' ' ' THR . 4.0 p80 -74.33 -40.44 62.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.481 ' OG1' ' CE1' ' A' ' 90' ' ' HIS . 31.9 m -113.74 143.36 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 p -79.23 0.19 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.85 -176.35 53.89 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 172.1 13.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.0 p -43.86 159.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.5 p -73.8 148.24 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 p -97.35 169.2 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -130.17 128.8 42.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.51 -69.45 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -165.53 160.85 18.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.806 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -117.5 174.25 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.32 -49.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.9 mtt -127.62 44.53 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.36 153.46 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.9 p -145.04 165.96 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -163.16 108.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -140.12 137.18 17.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 111.141 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.4 Cg_endo -69.82 -10.16 27.85 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.22 . . . . 0.0 112.341 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 77.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -81.17 -58.49 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.415 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 18.7 m-85 -61.07 -48.2 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.2 mtp -47.57 -34.76 8.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.2 -34.58 70.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -70.12 -36.71 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.01 -55.55 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -56.1 -37.36 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.81 -22.68 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.5 t80 -95.08 -28.39 15.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 18.0 ptt85 -70.2 -30.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 26' ' ' MET . 11.6 pt20 -88.09 -35.89 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.43 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 8.6 mtm -66.48 -47.52 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.0 m-70 -81.5 -47.56 12.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 52.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.3 m -120.22 176.94 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 111.081 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.69 111.83 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 22.0 mt -97.67 136.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -134.36 128.61 34.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.46 ' CE2' HG23 ' A' ' 51' ' ' VAL . 35.6 m-85 -98.99 107.38 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -88.81 123.77 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.4 tt0 -83.9 119.93 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' CG2' ' A' ' 48' ' ' THR . 9.9 mt -97.93 167.35 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -65.45 175.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.446 HG22 ' CD ' ' A' ' 45' ' ' ARG . 41.0 m -100.76 137.22 39.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -132.58 133.28 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.05 -173.26 23.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.524 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.1 Cg_endo -69.79 170.01 17.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.3 p-80 -58.66 -53.67 55.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.475 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -109.13 115.14 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' CD ' HG22 ' A' ' 38' ' ' THR . 11.4 mmt180 -99.68 123.99 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 mmt-85 -107.2 112.98 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -87.62 129.04 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 36' ' ' LEU . 10.2 m -96.99 137.92 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 35' ' ' GLU . 12.7 m-85 -138.72 163.58 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.04 149.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.46 HG23 ' CE2' ' A' ' 33' ' ' TYR . 78.6 t -107.59 154.36 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.26 111.15 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.433 HD13 ' CZ ' ' A' ' 58' ' ' PHE . 17.2 mt -114.07 134.49 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 50.85 45.19 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.26 26.48 16.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -103.84 147.31 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.8 112.32 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -90.6 157.88 43.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 109.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -49.49 169.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.73 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -95.69 146.38 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.87 141.35 9.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -45.97 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 m -110.05 177.99 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -56.52 -55.43 33.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 mp0 -59.19 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -38.71 -35.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.91 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' GLN . 35.6 mtt180 -59.22 -46.06 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -58.0 10.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -44.86 -61.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.84 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.61 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ALA . 43.9 tttp -50.98 -49.54 60.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.68 -63.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.2 t -48.52 -39.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.89 -42.95 94.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -67.96 -46.31 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.8 mt -55.17 -43.68 74.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.18 -49.49 27.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -56.86 -36.59 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -89.48 -26.12 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 86' ' ' LYS . 4.8 t30 -44.97 -51.28 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASN . 22.8 tptm -37.52 127.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.8 t -41.75 105.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.8 176.33 9.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.6 p -59.78 128.54 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -69.13 -44.73 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.6 t -37.72 149.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -134.78 174.5 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.0 175.71 47.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -45.61 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.3 m -69.47 130.06 41.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 p -76.68 146.98 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -108.48 129.72 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -106.76 154.33 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.45 99.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 m -158.42 172.39 18.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -118.13 -45.32 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.6 167.07 12.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.23 176.46 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.32 41.96 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -128.37 141.63 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t0 60.59 32.71 20.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -40.06 137.31 1.22 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 111.174 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 54.1 Cg_endo -69.71 -23.56 30.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.404 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.08 70.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -74.67 -56.18 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.55 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -55.74 -45.5 78.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.488 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 29.2 mmm -49.18 -47.39 46.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -30.01 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -75.64 -36.48 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.29 -59.0 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -54.23 -28.88 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -74.69 -24.5 58.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 33.2 t80 -94.8 -20.59 19.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 22.7 ptt85 -79.54 -33.99 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -82.28 -32.89 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.6 mtm -72.47 -58.42 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 19.0 m-70 -69.73 -49.19 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.13 45.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 33.1 m -112.58 157.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 HG21 ' CG1' ' A' ' 51' ' ' VAL . 8.2 mt -95.64 130.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -133.34 130.67 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.54 ' CE2' HG21 ' A' ' 51' ' ' VAL . 50.2 m-85 -101.57 106.94 18.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -86.94 123.53 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.92 109.02 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.6 mt -86.48 -179.89 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -75.18 -176.85 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 44.0 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.448 ' N ' HG21 ' A' ' 38' ' ' THR . 2.7 m -132.63 123.35 26.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.85 32.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.43 3.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 44' ' ' ASP . 14.5 p-80 -68.15 -47.41 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 m-20 -109.05 115.21 29.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -105.69 119.93 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' CG2' ' A' ' 38' ' ' THR . 50.1 mmt-85 -92.49 115.06 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.28 120.61 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 49' ' ' PHE . 25.2 m -95.41 144.55 25.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.411 ' N ' HG23 ' A' ' 48' ' ' THR . 25.9 m-85 -143.22 166.95 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -157.56 151.68 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.54 HG21 ' CE2' ' A' ' 33' ' ' TYR . 89.4 t -110.11 154.57 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.08 110.97 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.438 HD13 ' CE1' ' A' ' 58' ' ' PHE . 11.7 mt -113.58 124.96 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 56.99 46.88 18.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 59.31 29.43 18.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.523 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 12.4 ttmm -107.09 130.83 54.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -89.55 106.36 18.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.0 m-85 -85.79 158.72 56.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 105.67 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -47.69 175.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.92 160.48 43.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -95.86 152.39 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.31 152.66 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.15 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -119.0 160.06 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -40.22 -56.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.2 -53.7 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -46.98 -38.87 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.04 -48.66 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -52.65 -48.39 66.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.8 -37.16 73.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.28 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.18 -31.49 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.77 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 43.3 tttm -49.25 -42.62 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.9 mt -70.01 -37.3 75.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.16 -61.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -48.04 -45.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.34 -31.61 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.99 -55.08 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' ASP . 48.5 mt -42.24 -49.81 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -37.18 -46.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -89.63 -31.76 17.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.49 26.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.14 -47.09 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -40.21 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.5 p -130.96 140.73 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -68.66 155.41 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.1 p -80.68 168.1 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -88.92 159.3 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -90.26 -59.67 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -84.49 133.96 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.93 172.27 46.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -176.02 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.4 m -70.76 175.8 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 p -61.31 123.58 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -121.23 102.43 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -170.55 117.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.47 -148.76 16.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t 55.7 46.05 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -69.88 153.51 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.26 -85.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt 41.87 46.72 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.88 78.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -166.9 167.64 14.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -67.79 -40.59 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 m -160.21 137.1 6.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.76 -45.8 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.29 86.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.94 -49.47 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.76 -50.69 65.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -45.7 -40.88 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.8 -39.69 79.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -61.89 -32.18 72.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' CD2' HD11 ' A' ' 53' ' ' ILE . 8.5 mt -68.19 -58.35 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -52.48 -30.33 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -74.09 -23.47 59.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t80 -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.455 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 13.1 ptt180 -67.71 -30.3 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -88.24 -30.51 19.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.86 -45.37 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 m-70 -86.94 -36.95 18.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.51 44.1 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 34.2 m -110.18 164.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.33 110.71 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 10.7 mt -95.41 130.63 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.4 m -130.35 134.76 47.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -104.44 104.29 14.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -85.32 119.66 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.82 116.43 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.2 mt -95.15 171.33 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 p -65.37 173.83 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 m -111.2 135.5 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -132.68 158.33 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.53 -170.88 17.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.534 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.1 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 49.7 p-80 -58.46 -51.88 67.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 1.2 m-20 -108.63 115.17 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -100.75 118.6 37.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -97.4 113.75 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -89.69 131.03 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.2 m -99.01 137.47 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -135.63 166.24 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -157.23 139.77 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.4 t -102.12 154.59 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.18 114.01 14.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' HG22 ' A' ' 29' ' ' VAL . 12.4 mt -115.21 133.95 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 t70 52.35 39.48 27.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.61 34.3 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 23.6 tttm -111.56 142.97 43.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -97.97 107.76 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -87.29 158.4 52.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 106.0 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -47.4 172.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.02 41.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -94.83 146.17 24.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -42.69 -56.76 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -110.88 178.31 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -58.27 -56.49 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.31 -55.11 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -42.86 -35.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -58.48 -43.56 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.81 -49.08 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -55.46 -63.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.53 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' ALA . 45.2 tttp -50.91 -50.5 57.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.94 -36.51 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.39 -61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 68.0 t -50.78 -47.08 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.11 -45.97 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.5 -59.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.8 mt -37.75 -54.97 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -38.66 -42.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -89.02 -32.13 17.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 47.21 25.46 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -77.33 48.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -52.24 134.8 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.82 142.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 88' ' ' ASP . 39.7 t0 -72.39 100.79 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.45 174.17 11.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -62.16 84.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.2 m -95.07 128.09 41.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -44.89 162.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.7 146.17 0.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.6 68.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.8 p -101.25 135.42 42.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -107.81 101.16 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -46.48 173.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -156.43 147.5 22.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.24 -136.99 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 58.34 43.7 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -103.45 161.49 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.82 54.8 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mtt -70.83 175.16 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.27 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -114.02 166.03 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.23 34.52 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.459 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 11.5 m -64.4 136.66 96.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.9 Cg_endo -69.75 -45.61 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.243 . . . . 0.0 112.386 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.72 82.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -83.36 -64.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -64.77 -49.51 70.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.2 mtp -46.09 -40.77 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.61 -33.86 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.52 -37.95 77.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.93 -53.11 61.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.11 -56.64 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -47.86 -20.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 56.5 t80 -94.88 -37.24 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 15.7 ptt180 -66.65 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.68 -20.87 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 ttm -82.6 -53.38 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 13.9 m-70 -77.53 -36.62 52.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.36 45.34 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG21 ' CG2' ' A' ' 53' ' ' ILE . 29.7 m -108.56 179.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.06 110.94 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 5.1 mt -96.52 129.49 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 m -130.54 128.9 42.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -101.21 104.04 15.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -81.05 133.7 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.78 107.03 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD11 ' CB ' ' A' ' 60' ' ' GLU . 18.7 mt -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 t -83.5 172.99 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 m -91.01 147.72 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.3 p -142.63 148.24 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.42 -169.77 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.76 169.36 19.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.53 3.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 22.1 p-80 -66.82 -50.04 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -107.96 115.18 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -103.24 124.89 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -104.96 126.09 51.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -93.28 129.87 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 m -102.45 147.3 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.83 157.0 43.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -145.29 155.09 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 87.7 t -116.31 152.8 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.22 114.12 14.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' HG21 ' A' ' 29' ' ' VAL . 6.5 mt -117.68 122.24 69.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 61.55 46.69 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 59.8 27.05 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -105.05 140.7 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -99.06 109.6 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 40.5 m-85 -88.14 158.07 50.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' CB ' HD11 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -47.26 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.91 156.12 36.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -94.62 153.79 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.38 141.76 8.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -51.14 -58.92 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -106.23 154.23 21.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -42.73 -47.03 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.32 -44.49 75.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -55.47 -34.63 64.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.6 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -56.02 -47.79 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.35 -41.06 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.81 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -52.7 -48.41 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.33 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.6 -58.6 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.25 -42.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.8 -36.08 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -76.76 -56.01 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' ASP . 44.4 mt -39.86 -55.07 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' LEU . 9.1 t70 -37.35 -43.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -88.77 -33.15 17.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 47.08 25.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' LYS . 7.7 t30 -90.61 -60.04 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 85' ' ' ASN . 18.6 tttm -34.46 114.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 88' ' ' ASP . 97.8 t -102.43 148.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.403 ' N ' HG11 ' A' ' 87' ' ' VAL . 6.6 p-10 -146.58 125.2 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.69 120.91 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -136.44 107.42 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.1 m -114.13 83.74 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -158.26 120.2 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.62 82.16 0.35 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 179.75 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.5 m -41.53 149.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.9 p -103.6 -44.3 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -88.01 43.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -59.03 -54.07 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.86 121.94 0.72 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -123.92 -61.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -50.84 169.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.46 46.79 2.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.2 ttp -48.69 118.71 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.34 106.22 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t 53.83 29.76 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 55.43 37.92 29.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 92.8 m -145.84 138.46 13.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.75 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.06 71.08 0.45 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -66.58 -49.89 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.88 -42.73 99.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.8 mtp -58.15 -28.72 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.39 -31.91 48.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.4 mtmt -68.79 -32.89 72.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.52 -62.46 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -52.05 -27.78 14.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.94 -23.97 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 22.2 t80 -94.83 -23.04 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 14.0 ptt180 -72.0 -31.2 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 1.3 ptp -56.9 -44.7 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.689 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 24.3 m-70 -84.22 -45.73 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.32 35.0 3.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 HG22 ' CG2' ' A' ' 53' ' ' ILE . 29.1 m -97.5 -177.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 110.81 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 4.4 mt -97.22 128.37 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 m -128.79 132.46 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -105.21 103.79 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.89 153.23 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -107.09 107.08 17.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.9 mt -88.45 165.95 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -58.9 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 46' ' ' ARG . 6.9 m -119.26 128.38 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.8 m -119.11 160.72 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -174.38 16.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.29 19.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 47.4 p-80 -58.81 -52.19 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -109.11 115.25 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -101.06 127.96 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 38' ' ' THR . 21.7 mmt85 -108.27 121.93 45.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -88.35 135.22 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 m -105.79 131.15 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -132.56 163.85 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -152.2 162.37 41.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' CG1' HG23 ' A' ' 31' ' ' ILE . 97.8 t -120.47 152.65 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.15 117.07 18.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 58' ' ' PHE . 14.7 mt -119.73 128.42 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.06 41.99 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.89 27.74 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -104.69 144.08 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.91 112.44 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 53' ' ' ILE . 37.3 m-85 -90.78 157.84 43.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' O ' ' CD1' ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.76 104.79 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -48.65 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.25 158.65 39.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.93 152.86 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.86 137.7 6.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -39.86 -55.87 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 p -117.75 163.22 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.8 -47.57 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.73 -43.82 79.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.24 -33.9 68.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.93 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -50.66 -46.41 58.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.78 -48.97 79.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -56.85 -59.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -44.1 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.7 tttt -49.96 -46.6 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 59' ' ' PRO . 14.2 mt -67.5 -39.56 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.0 -63.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.2 t -46.08 -43.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.87 -35.47 68.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.0 mt -74.28 -52.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 83' ' ' ASN . 32.2 mt -45.32 -55.56 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.4 -28.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.8 m-20 -102.73 -31.25 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 50.13 26.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 83' ' ' ASN . 6.5 m120 -122.5 93.39 3.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -69.82 146.88 51.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.1 m -36.1 133.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.68 164.19 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.12 161.6 15.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.29 172.95 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.9 p -124.04 158.47 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 t -91.2 -47.81 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.68 -160.09 44.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 175.05 8.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -38.31 -58.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -132.28 167.08 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 125.43 45.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -123.9 103.4 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.34 -142.19 10.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m 59.05 44.19 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -156.73 155.26 31.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 46.8 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.69 132.69 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.97 150.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -147.49 173.71 12.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -114.9 80.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -63.34 137.19 97.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.152 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.79 -26.05 27.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.62 82.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -90.61 -69.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.507 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 24.6 m-85 -54.08 -47.07 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.524 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 38.2 mmm -44.56 -45.85 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -30.33 70.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -76.19 -35.07 59.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -64.29 -56.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.38 -53.73 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -49.94 -21.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 t80 -94.8 -38.83 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.451 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 16.9 ptt180 -63.87 -42.94 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 2.1 pt20 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.568 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 43.4 ttp -75.9 -64.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.6 m-70 -62.87 -38.53 91.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.94 42.85 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 53' ' ' ILE . 27.0 m -108.39 163.72 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.2 113.63 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 8.7 mt -100.71 127.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -128.42 130.01 46.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.57 ' CD2' HG23 ' A' ' 51' ' ' VAL . 67.8 m-85 -99.33 103.93 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -83.4 117.09 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.32 124.93 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 48' ' ' THR . 27.7 mt -100.76 168.62 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -70.38 175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.05 150.87 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -145.26 135.82 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.46 -171.23 23.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.76 169.61 18.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -32.71 17.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.463 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.3 p-80 -75.75 -53.65 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -108.88 115.18 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -104.4 132.39 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -108.98 117.85 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.77 121.95 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.456 ' CG2' HD11 ' A' ' 36' ' ' LEU . 8.5 m -93.56 148.48 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' N ' HG21 ' A' ' 48' ' ' THR . 14.4 m-85 -147.16 165.6 29.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -154.8 151.39 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.57 HG23 ' CD2' ' A' ' 33' ' ' TYR . 61.4 t -110.09 152.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.22 110.65 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 29' ' ' VAL . 6.9 mt -116.41 131.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' CD ' ' A' ' 55' ' ' GLU . 3.7 t70 54.14 47.79 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 3.4 mp0 56.65 34.51 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -112.5 139.57 47.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.77 108.37 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 38.9 m-85 -87.55 158.17 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 107.59 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -49.53 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.21 159.69 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -97.55 145.18 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.07 140.94 9.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -49.99 -53.73 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -109.22 163.05 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -50.19 -61.15 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.11 -44.38 91.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.03 -37.08 52.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.75 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -59.13 -43.06 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -63.68 -37.55 87.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.03 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.46 -33.59 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.54 -37.28 77.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.507 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 55.2 tttm -49.56 -51.09 39.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.67 -61.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 73.5 t -48.28 -39.13 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.45 -36.04 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.7 -51.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 84' ' ' GLU . 38.4 mt -43.91 -57.49 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t70 -35.93 -34.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 6.6 t-20 -99.76 -28.99 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' LEU . 14.7 mt-10 53.92 38.14 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -91.56 79.6 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -40.73 112.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.39 151.85 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -47.56 120.81 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.07 155.06 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 71.86 47.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 p -54.33 -15.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.0 p -172.08 159.96 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.53 130.78 10.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 161.66 45.06 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.7 p -73.44 159.44 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.6 t -93.54 140.26 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -122.78 159.13 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -78.69 158.8 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.54 47.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -56.23 126.72 27.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 103.7 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 55.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -131.4 147.43 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.57 -178.85 3.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.5 t -99.32 -26.85 14.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -120.9 -60.44 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -148.21 137.35 11.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 111.16 -179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.76 -0.16 6.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.58 72.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -71.73 -68.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 19.1 m-85 -54.74 -47.78 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.5 mtp -46.06 -42.17 13.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -32.85 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -71.63 -31.61 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.3 -57.31 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -49.48 -48.89 47.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.35 -21.09 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -94.97 -29.65 14.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 29' ' ' VAL . 23.2 ptt85 -75.53 -30.59 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -88.97 -18.13 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 ttm -87.38 -51.35 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -80.82 -29.94 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.7 47.05 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' CG2' ' HA ' ' A' ' 24' ' ' ARG . 23.6 m -112.57 166.81 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 110.78 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' CG1' ' A' ' 51' ' ' VAL . 11.0 mt -98.36 133.66 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.7 m -131.63 137.51 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -105.92 103.82 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -85.53 127.46 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -83.02 129.39 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 60' ' ' GLU . 29.8 mt -106.35 169.17 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -62.1 -176.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -118.23 132.09 56.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 p -125.15 163.16 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.74 -172.72 14.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.74 169.98 17.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.98 2.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.465 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 29.2 p-80 -64.87 -49.24 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 46' ' ' ARG . 11.0 t70 -109.04 115.21 29.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -102.33 123.75 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 47.4 mmt-85 -102.93 114.74 29.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.489 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 16.7 m-85 -88.96 125.99 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.448 ' CG2' HD11 ' A' ' 36' ' ' LEU . 13.8 m -96.67 146.28 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CZ ' ' HG3' ' A' ' 66' ' ' LYS . 16.2 m-85 -143.94 168.28 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -156.65 148.93 23.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' CG1' HG22 ' A' ' 31' ' ' ILE . 87.9 t -108.23 154.49 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.4 110.73 11.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.423 HD11 ' CE1' ' A' ' 58' ' ' PHE . 10.9 mt -113.48 130.83 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 54.99 39.24 31.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 64.16 32.58 12.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -110.98 135.02 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -90.01 108.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.6 m-85 -87.83 158.95 49.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 106.03 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.455 ' CB ' HD12 ' A' ' 36' ' ' LEU . 3.8 pm0 -48.36 175.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -154.25 160.7 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -99.03 156.73 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -163.83 137.7 4.9 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLY . 34.3 ttt180 -36.79 -60.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -119.86 158.14 27.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -39.21 -51.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -32.98 70.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.87 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.54 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.1 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -38.69 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.67 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.567 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 56.5 tttm -56.47 -48.78 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.5 mt -64.38 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.77 -62.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 45.4 t -47.89 -41.27 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.61 -45.25 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LEU . 71.8 mt -65.15 -57.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ASP . 52.9 mt -37.99 -55.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 18.1 t70 -36.05 -45.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -89.17 -28.93 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' LEU . 6.1 mt-10 54.09 35.94 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 48.71 51.03 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -76.58 -175.69 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.8 6.31 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.19 -39.45 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 21.2 t -102.61 122.2 43.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.415 ' O ' ' CG2' ' A' ' 91' ' ' THR . 32.6 t60 -109.96 112.67 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.415 ' CG2' ' O ' ' A' ' 90' ' ' HIS . 36.3 p -159.94 147.41 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -54.51 132.1 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.8 -175.07 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 107.18 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -123.43 164.41 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.8 m -99.48 154.3 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -60.57 -50.75 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.0 mtp -47.2 -29.05 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.68 -33.94 53.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -69.23 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 31' ' ' ILE . 13.1 mt -60.8 -62.02 2.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -49.08 -49.11 43.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -53.47 -21.55 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t80 -94.89 -40.95 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 29' ' ' VAL . 12.5 ptt85 -60.14 -28.11 67.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -81.31 -52.27 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 mtm -56.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 27.9 m-70 -71.01 -49.92 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.55 41.87 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 24' ' ' ARG . 28.6 m -104.66 171.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.06 112.87 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 3.3 mt -101.81 127.13 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -129.64 134.94 47.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD2' HG22 ' A' ' 51' ' ' VAL . 13.2 m-85 -104.79 103.86 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -81.89 128.45 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -86.68 101.54 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 48' ' ' THR . 11.9 mt -79.77 168.21 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -69.71 -176.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 m -101.95 141.64 34.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 m -135.76 132.47 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.07 -173.44 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.85 18.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -35.84 11.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -72.32 -52.48 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -108.88 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -101.96 132.3 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -115.28 118.16 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -87.32 125.25 34.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.767 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.64 145.94 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.0 158.95 43.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 36' ' ' LEU . 7.9 pt20 -151.58 156.33 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 31' ' ' ILE . 93.7 t -114.5 154.56 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 113.24 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 58' ' ' PHE . 17.0 mt -115.69 126.28 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 58.32 45.16 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 61.04 29.29 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -106.64 146.26 30.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -102.99 112.24 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 39.5 m-85 -91.2 157.75 42.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.76 103.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' CD ' HD13 ' A' ' 36' ' ' LEU . 9.0 pt-20 -46.43 173.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.65 156.28 41.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -94.96 151.03 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.26 141.82 7.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -43.67 -59.49 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 t -118.94 164.22 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.66 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.38 -59.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -49.58 -35.26 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.45 -56.65 6.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -51.96 -47.72 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -57.4 -45.32 84.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.35 21.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.92 -38.31 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -66.88 -35.34 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.74 -47.53 67.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.01 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 74' ' ' ALA . 30.2 t -51.16 -36.25 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mt -78.43 -54.49 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 82' ' ' ASP . 23.7 mt -41.61 -58.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 42.3 m-85 -66.31 -57.38 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.0 mtp -40.7 -33.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.66 -37.42 62.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' TYR . 40.6 mtmt -65.98 -40.52 91.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.24 -61.35 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.38 -46.27 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -57.79 -22.49 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.4 t80 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.559 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.6 ptt85 -65.56 -41.38 93.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.4 -19.27 53.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.3 mmm -80.99 -48.61 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.9 m-70 -84.19 -48.72 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.16 46.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 24' ' ' ARG . 14.6 m -110.39 176.49 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.39 112.21 20.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 24' ' ' ARG . 3.1 mt -99.18 127.31 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -129.85 133.04 46.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CD2' HG22 ' A' ' 51' ' ' VAL . 43.6 m-85 -101.73 108.04 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -89.29 122.19 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 3.6 tm-20 -81.69 108.12 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 48' ' ' THR . 26.9 mt -84.17 174.59 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.4 m -72.4 -175.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.19 148.89 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -144.91 142.56 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.45 -171.58 21.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.559 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.5 Cg_endo -69.8 169.83 18.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 10.0 p-80 -63.11 -52.23 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.06 115.19 29.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.69 118.29 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -97.4 120.41 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 22.5 m-85 -88.5 126.52 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 36' ' ' LEU . 17.5 m -95.49 150.04 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -149.35 168.26 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.22 148.75 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 31' ' ' ILE . 47.1 t -109.63 153.37 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.03 111.3 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.6 mt -114.76 134.47 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.22 44.47 28.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.05 27.8 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 25.4 ttmt -105.1 142.76 34.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -99.81 110.1 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.1 m-85 -89.0 158.08 47.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.74 108.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.91 177.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.82 162.22 38.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -97.65 153.37 18.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 128.9 2.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -38.9 -63.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.4 t -103.16 146.69 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' SER . 26.5 mmtp -36.17 -53.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.78 -59.45 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -41.04 -38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.48 86.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -53.74 -43.16 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.17 -41.22 96.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -63.11 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.79 -41.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 35.6 tttm -49.59 -50.09 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 59' ' ' PRO . 21.8 mt -64.55 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.71 -64.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.9 t -45.0 -39.48 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.35 -48.22 81.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.06 -54.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' A' ' 58' ' ' PHE . 28.3 mt -45.27 -51.63 10.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 16.3 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -75.46 -51.04 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 73.5 mtp -47.24 -36.95 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -38.2 89.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 15' ' ' PHE . 25.4 mttt -63.83 -47.88 79.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 HD13 ' A' ' 31' ' ' ILE . 11.1 mt -49.08 -60.97 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -52.03 -35.29 46.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -69.68 -24.44 63.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.3 t80 -94.91 -28.18 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 29' ' ' VAL . 19.0 ptt85 -72.39 -34.0 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.45 -31.17 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -71.41 -57.38 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 17.2 m-70 -72.92 -52.61 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 24' ' ' ARG . 35.7 m -110.38 162.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 115.5 30.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.757 HD13 HD22 ' A' ' 20' ' ' LEU . 14.9 mt -98.8 129.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.7 m -130.44 129.35 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.7 m-85 -100.51 103.75 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -83.77 124.45 30.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -80.51 120.26 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.966 HD12 HG22 ' A' ' 48' ' ' THR . 17.0 mt -100.75 173.53 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -71.24 176.39 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 46' ' ' ARG . 26.6 m -115.62 135.3 54.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -132.47 132.85 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.57 30.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.95 17.67 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -57.23 -52.72 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.08 115.19 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.77 112.66 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 38' ' ' THR . 38.2 mmt180 -87.13 113.23 22.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 76.0 m-85 -92.05 123.76 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.966 HG22 HD12 ' A' ' 36' ' ' LEU . 15.1 m -91.3 141.11 29.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 19.6 m-85 -141.41 159.35 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -150.62 143.59 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.2 t -105.29 154.71 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.17 116.93 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.3 mt -118.79 136.26 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 49.22 41.17 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 63.44 36.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -114.98 144.62 43.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.47 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 53' ' ' ILE . 31.4 m-85 -90.31 158.41 43.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.828 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.1 Cg_endo -69.78 108.72 2.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -49.02 178.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.5 158.14 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -94.4 155.65 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.81 144.12 11.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -46.1 -57.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.2 p -117.78 152.01 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 5.4 mmmt -34.67 -53.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -63.72 -48.26 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -50.96 -37.62 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.18 -44.15 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.22 -46.59 88.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.83 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -39.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.41 78.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 37.7 tttp -49.36 -46.55 47.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.2 mt -66.32 -39.19 89.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.82 -62.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -49.79 -40.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.83 -37.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.41 -54.26 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . 33.3 mt -45.82 -54.94 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' LEU . 39.3 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 26.7 m-85 -49.22 -52.32 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.2 mtp -44.56 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -31.06 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -71.59 -34.34 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 14.9 mt -61.66 -49.86 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.89 -56.18 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -49.44 -21.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.94 -30.86 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.615 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -75.39 -28.23 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.06 -23.98 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 9.7 ptm -82.85 -44.69 15.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' MET . 25.1 m80 -83.11 -27.37 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.24 47.66 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 24' ' ' ARG . 31.2 m -112.58 -179.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.31 111.07 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.3 mt -98.49 131.92 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -130.54 129.56 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.541 ' CD2' HG22 ' A' ' 51' ' ' VAL . 18.7 m-85 -99.74 104.02 15.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -84.62 135.38 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -91.09 121.12 32.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 48' ' ' THR . 15.7 mt -97.02 176.9 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -71.57 -175.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.2 m -113.46 151.36 31.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -144.91 162.97 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.58 -171.4 13.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.91 17.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.08 3.69 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -65.61 -52.6 50.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -109.0 115.12 29.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -101.77 132.11 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 29.4 mmt180 -106.51 123.89 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 29.6 m-85 -94.84 127.39 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 36' ' ' LEU . 8.8 m -100.18 139.49 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.6 162.37 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -150.68 146.24 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 33' ' ' TYR . 99.8 t -106.61 154.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.19 110.18 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.7 mt -114.49 122.97 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t0 63.24 42.82 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 62.01 25.63 15.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 23.1 ttmt -103.43 141.9 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.57 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.0 m-85 -84.76 158.29 59.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.731 0.777 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.83 174.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.6 158.97 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -99.02 151.88 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.47 134.03 3.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -39.18 -56.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -113.59 160.85 18.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -40.58 -45.73 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.33 -53.5 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -44.99 -34.31 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 47' ' ' PHE . . . -72.56 -47.94 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.22 -47.35 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.16 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -70.11 -31.21 68.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 59.3 tttt -57.68 -49.23 77.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.7 mt -63.58 -37.63 88.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.73 -59.49 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 40.1 t -51.34 -35.78 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.52 -40.12 93.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.27 -52.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 78' ' ' VAL . 32.2 mt -42.42 -56.96 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.491 ' N ' HD22 ' A' ' 71' ' ' ASN . 24.9 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -66.02 -51.31 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.2 mtp -42.93 -42.73 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.96 -39.74 90.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE3' HG11 ' A' ' 78' ' ' VAL . 22.3 mtmt -62.55 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 20' ' ' LEU . 12.2 mt -50.54 -54.21 24.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -52.37 -60.22 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -45.59 -21.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.4 t80 -93.63 -34.79 13.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.8 ptt85 -70.1 -30.38 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.66 -26.4 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.2 ttp -78.14 -57.35 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.702 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 45.3 m-70 -72.37 -35.46 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.51 48.2 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.3 m -113.52 177.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 111.16 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG23 ' CG1' ' A' ' 51' ' ' VAL . 4.0 mt -97.96 130.65 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -129.24 136.16 49.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.28 105.33 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -86.24 122.97 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.39 110.18 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 HG22 ' A' ' 48' ' ' THR . 43.6 mt -85.78 168.69 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 t -68.22 -174.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 45' ' ' ARG . 20.1 m -110.61 141.75 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -137.7 135.02 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.68 -168.15 25.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 169.51 18.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.65 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 45.2 p-80 -73.49 -48.65 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.2 t0 -107.49 115.07 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 38' ' ' THR . 19.1 mmt85 -106.61 119.94 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -97.42 114.29 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 66' ' ' LYS . 27.2 m-85 -87.35 115.68 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.853 HG22 HD12 ' A' ' 36' ' ' LEU . 10.7 m -87.61 148.1 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -144.56 165.45 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -155.46 146.92 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 31' ' ' ILE . 69.1 t -108.04 152.95 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.26 110.17 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.2 mt -111.5 124.2 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 59.25 45.58 13.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 61.89 26.1 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -101.56 148.12 25.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -105.2 108.45 19.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.4 m-85 -89.45 158.05 46.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 106.54 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.6 pm0 -45.79 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.31 158.76 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -97.74 143.55 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.22 135.32 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 64' ' ' ARG . 8.4 ttp-105 -38.51 -56.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -116.28 164.79 13.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mmtt -43.69 -54.77 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ARG . 4.9 mt-30 -61.26 -63.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLN . 3.7 tp10 -35.4 -39.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.32 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' GLN . 84.2 mtt180 -49.75 -43.35 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 15' ' ' PHE . 14.5 t-20 -64.61 -42.33 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.83 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.44 70.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.81 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -52.73 -47.29 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.5 mt -66.36 -37.38 85.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.99 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 ' HE3' ' A' ' 19' ' ' LYS . 68.1 t -45.54 -39.83 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.24 85.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.01 -48.03 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.71 -52.45 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.4 m-85 -68.6 -56.69 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.3 mtp -41.95 -41.58 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.27 -36.7 84.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HE3' HG11 ' A' ' 78' ' ' VAL . 33.7 mtmt -64.3 -39.87 94.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.49 -53.63 55.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.7 -41.2 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -62.14 -22.22 65.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 30.4 t80 -94.93 -36.82 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HA ' HG22 ' A' ' 29' ' ' VAL . 20.3 ptt85 -62.91 -35.56 80.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.94 -18.91 35.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 mmm -81.22 -46.99 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.7 m-70 -86.51 -38.02 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.6 44.44 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.2 m -109.04 172.97 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.96 113.01 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 51' ' ' VAL . 7.9 mt -99.53 129.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -129.74 128.15 41.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD2' HG22 ' A' ' 51' ' ' VAL . 9.9 m-85 -97.68 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -83.84 132.39 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.15 117.61 28.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 48' ' ' THR . 13.8 mt -93.9 173.79 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 t -74.65 173.91 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 46' ' ' ARG . 24.6 m -96.87 136.03 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -132.58 120.9 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.29 -168.02 33.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.73 168.84 20.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 54.1 p-80 -60.22 -51.22 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 2.7 t70 -108.86 115.19 29.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.7 mmt85 -101.53 118.79 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' THR . 19.3 mmt85 -95.36 119.46 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.13 125.31 34.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 36' ' ' LEU . 31.1 m -96.48 144.12 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -142.09 161.04 38.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -152.63 149.25 28.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 33' ' ' TYR . 97.2 t -109.48 153.77 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.36 110.76 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.4 mt -113.63 131.5 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 54.09 43.65 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 62.58 24.99 14.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -102.26 146.48 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.64 108.71 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.613 ' CE1' HD12 ' A' ' 53' ' ' ILE . 34.3 m-85 -89.11 158.31 46.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 36' ' ' LEU . 3.7 pm0 -49.08 178.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.26 156.86 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.19 142.53 30.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.59 133.9 4.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 14.7 ttp-105 -44.57 -51.56 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -109.33 164.28 12.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -53.7 -47.64 70.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -60.87 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 14.4 tt0 -41.45 -39.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.8 87.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -57.0 -45.66 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.08 -40.9 86.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.76 -65.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.86 -33.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.29 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.4 tttt -53.39 -46.56 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.37 -36.0 76.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.87 -62.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.633 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.4 t -47.96 -41.37 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.62 -44.99 81.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.19 -43.07 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.19 -40.93 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -63.71 -50.92 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.2 mtp -46.93 -33.72 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.02 -34.44 50.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' HG11 ' A' ' 78' ' ' VAL . 38.7 mtmt -65.47 -32.33 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 31' ' ' ILE . 10.5 mt -67.55 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -50.01 -25.61 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -78.54 -29.63 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.1 t80 -88.64 -26.29 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.5 ptt85 -68.74 -40.27 79.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.13 -21.27 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.6 mmm -76.83 -43.43 36.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 20.7 m-70 -90.7 -47.32 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.92 38.95 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 24' ' ' ARG . 18.3 m -103.4 174.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 111.12 20.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 20' ' ' LEU . 16.8 mt -99.12 128.03 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 m -131.31 134.16 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.0 103.79 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -86.48 139.21 31.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -97.43 126.19 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.92 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -69.13 -177.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 45' ' ' ARG . 10.0 m -103.52 116.76 32.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -108.65 118.5 36.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -172.42 34.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.37 2.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 14.9 p-80 -66.16 -48.33 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.01 115.36 29.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.2 mmt180 -102.89 124.29 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' THR . 20.5 mmt85 -104.17 123.67 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -88.68 119.16 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 m -93.74 146.0 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -144.1 165.58 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -155.32 157.09 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 52' ' ' LEU . 57.0 t -115.96 154.07 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 5.3 mp -131.35 115.41 16.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 6.2 mt -120.56 124.57 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t0 60.18 41.89 16.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.76 24.92 13.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 28.1 ttmt -104.92 134.8 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.44 112.14 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 26.8 m-85 -89.29 158.9 45.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -48.0 176.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.17 160.8 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -99.89 148.16 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.54 138.09 6.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -42.34 -57.09 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.4 p -114.68 157.88 22.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -40.64 -42.96 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -69.57 -48.82 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.44 -35.19 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.7 -52.24 58.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -51.26 -43.54 61.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -61.59 -56.38 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.9 -47.55 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.7 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.4 -30.19 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -54.43 -49.94 68.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.96 -34.59 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.99 -61.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.584 HG11 ' HE3' ' A' ' 19' ' ' LYS . 43.8 t -52.12 -35.16 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.52 -45.46 93.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.15 -54.66 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ASP . 30.9 mt -46.17 -53.51 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 34.9 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.1 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 41.5 m-85 -60.59 -59.29 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' TYR . 87.8 mtp -37.57 -40.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.61 -42.99 85.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HE3' HG11 ' A' ' 78' ' ' VAL . 39.1 mtmt -58.21 -36.53 73.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 31' ' ' ILE . 10.9 mt -60.01 -62.44 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -50.71 -47.38 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -55.16 -22.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 33.9 t80 -94.93 -38.83 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HA ' HG22 ' A' ' 29' ' ' VAL . 17.8 ptt85 -63.65 -35.77 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.57 -16.52 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.1 ttp -88.89 -62.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' ND1' ' CE2' ' A' ' 23' ' ' TYR . 25.0 m80 -68.43 -45.62 72.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.71 49.68 0.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 24' ' ' ARG . 26.9 m -116.76 167.31 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.47 115.63 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.63 HD13 HD22 ' A' ' 20' ' ' LEU . 1.5 mt -102.85 127.19 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -128.6 132.12 48.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.1 m-85 -102.45 103.86 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -83.2 130.61 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -88.42 104.95 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 48' ' ' THR . 31.6 mt -78.01 -177.48 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -81.47 -179.3 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -108.84 117.64 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t -112.98 148.06 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.5 -176.25 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 53.4 Cg_endo -69.81 169.65 18.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -37.97 8.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 23.4 p80 -68.33 -52.59 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 t70 -109.15 115.18 29.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -102.28 128.54 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -106.31 119.43 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CG ' ' HD3' ' A' ' 66' ' ' LYS . 23.8 m-85 -89.41 114.51 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 HD12 ' A' ' 36' ' ' LEU . 6.3 m -89.38 142.94 27.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -142.65 164.88 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -157.0 151.78 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 33' ' ' TYR . 86.3 t -113.73 153.85 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.25 111.57 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.712 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.5 mt -113.39 127.1 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 t70 56.8 46.33 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.89 25.28 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -102.34 146.92 27.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.72 110.7 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.712 ' CE1' HD12 ' A' ' 53' ' ' ILE . 39.0 m-85 -90.55 157.9 43.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 109.83 2.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -50.26 -178.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.24 160.41 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -99.7 149.92 22.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -151.76 128.82 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -38.21 -58.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -102.18 149.1 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -42.88 -48.93 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.74 -50.04 59.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -46.56 -38.66 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.04 91.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -53.01 -44.96 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -59.3 -51.65 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.84 -56.97 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.14 -38.72 18.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.45 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -51.5 -50.78 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.69 -36.87 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.07 -60.52 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 ' HE3' ' A' ' 19' ' ' LYS . 97.6 t -50.21 -37.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.45 -43.92 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.8 mt -68.02 -60.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' ILE . 46.6 mt -34.64 -52.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.838 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LYS . 36.1 m-85 -67.36 -50.41 59.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.3 mtp -45.42 -28.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.6 -31.7 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' TYR . 35.0 mtmt -71.87 -35.21 69.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 31' ' ' ILE . 8.8 mt -58.12 -56.37 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -51.4 -57.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.99 -21.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 21.5 t80 -93.97 -36.7 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.1 ptt85 -67.76 -36.72 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.97 -14.91 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.6 ttp -88.55 -55.74 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 38.2 m-70 -75.73 -36.75 59.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.85 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.6 m -113.49 165.24 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.74 113.05 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.643 HD13 HD22 ' A' ' 20' ' ' LEU . 2.7 mt -98.53 128.73 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -128.22 133.0 48.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -100.99 105.68 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -87.11 128.84 35.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -85.8 127.47 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 48' ' ' THR . 10.5 mt -107.73 163.38 13.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -63.15 176.45 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 46' ' ' ARG . 23.1 m -102.87 138.47 39.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.4 p -130.2 129.91 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.07 -173.25 26.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.75 169.71 18.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.95 2.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 6.0 p80 -62.98 -55.01 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HB3' HG21 ' A' ' 38' ' ' THR . 11.1 mmt180 -100.81 134.6 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' THR . 66.6 mmt-85 -113.27 117.95 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.38 127.01 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 36' ' ' LEU . 19.1 m -98.19 146.23 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.14 164.11 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -155.14 145.21 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 52' ' ' LEU . 91.5 t -104.41 154.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.24 110.83 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 20' ' ' LEU . 18.7 mt -114.34 137.26 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t0 49.62 42.02 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 61.23 34.57 18.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -112.56 140.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.55 107.14 19.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.7 m-85 -86.51 158.58 54.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.693 0.758 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.8 108.39 2.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -47.98 176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.81 157.16 38.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -95.78 147.5 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.75 140.34 8.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -45.26 -60.49 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.424 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 22.8 t -107.07 163.82 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -47.13 -58.4 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -59.15 -51.08 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -45.46 -40.15 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.29 86.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -52.64 -42.92 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -61.63 -53.39 56.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 -57.11 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.36 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.99 79.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -51.87 -47.01 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.3 mt -65.82 -40.79 92.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.39 -64.38 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' HE3' ' A' ' 19' ' ' LYS . 58.8 t -46.49 -37.11 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.43 -40.77 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mt -70.94 -45.03 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.31 -53.25 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.87 -48.02 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.1 mtp -49.66 -31.85 11.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.53 -31.07 53.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' HG11 ' A' ' 78' ' ' VAL . 32.5 mtmt -70.5 -32.05 69.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 31' ' ' ILE . 11.4 mt -67.19 -55.63 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -52.85 -54.66 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -50.55 -21.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.711 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 18.1 t80 -94.52 -36.59 11.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -67.06 -41.4 86.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -75.13 -20.33 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 ttp -86.44 -54.94 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.711 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 33.9 m80 -72.17 -40.98 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.91 45.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.5 m -115.93 158.09 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.5 110.87 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 20' ' ' LEU . 4.2 mt -99.3 130.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -130.5 129.55 43.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -92.32 103.75 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 21.8 tptt -74.58 136.64 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.25 100.93 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD12 HG22 ' A' ' 48' ' ' THR . 6.7 mt -83.81 162.28 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -67.0 -177.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -96.74 139.69 32.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -134.97 125.91 27.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.04 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.56 4.21 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 43' ' ' HIS . 8.4 p80 -67.26 -54.07 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.08 115.26 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.4 mmt85 -103.31 124.93 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 -103.71 121.04 42.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -86.05 124.14 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.654 HG22 HD12 ' A' ' 36' ' ' LEU . 17.7 m -94.27 142.08 27.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 20.2 m-85 -142.55 165.69 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -163.23 142.4 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 31' ' ' ILE . 70.9 t -95.73 154.48 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.2 mp -131.37 110.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.1 mt -113.8 138.47 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 45.48 45.28 10.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 60.93 29.0 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -105.32 135.88 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.54 110.27 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.755 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.2 m-85 -86.47 158.87 54.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 102.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -44.97 170.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.19 164.5 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -98.07 146.74 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.73 131.73 3.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.4 -52.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.8 p -122.7 161.11 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -42.52 -47.55 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' ' C ' ' A' ' 67' ' ' GLN . 1.7 tm0? -67.46 -52.61 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.8 -32.66 14.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -69.67 -43.92 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -54.61 -45.67 73.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -64.79 -51.98 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.31 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.08 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -56.02 -49.63 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 59' ' ' PRO . 19.2 mt -64.7 -36.59 84.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.45 -60.21 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG11 ' HE3' ' A' ' 19' ' ' LYS . 88.9 t -50.06 -36.25 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.13 -43.54 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.84 -50.65 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 78' ' ' VAL . 37.5 mt -45.75 -53.68 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.822 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -48.0 -50.13 28.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.7 mtp -48.51 -35.19 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.35 -31.49 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HE3' HG11 ' A' ' 78' ' ' VAL . 40.9 mtmt -70.3 -30.36 67.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 17.9 mt -69.52 -58.17 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -52.02 -31.07 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -75.06 -23.45 58.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.491 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 5.3 t80 -94.84 -27.18 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HA ' HG22 ' A' ' 29' ' ' VAL . 26.6 ptt85 -68.53 -36.33 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.96 -38.73 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -62.27 -61.44 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 35.7 m80 -69.62 -40.06 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.89 45.35 2.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.0 m -106.71 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.19 111.43 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 9.2 mt -99.05 129.43 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -130.9 130.81 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CD2' HG22 ' A' ' 51' ' ' VAL . 12.3 m-85 -100.75 104.1 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -85.3 135.04 34.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 48' ' ' THR . 15.6 mt -92.63 177.83 5.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -71.35 -176.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.59 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -129.76 151.23 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.64 -174.01 18.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 43' ' ' HIS . 7.1 p80 -60.28 -55.43 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.98 115.19 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -101.07 130.87 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -107.85 119.43 39.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.454 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 14.7 m-85 -89.34 123.82 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 36' ' ' LEU . 12.1 m -93.08 140.92 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.0 161.33 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.25 152.53 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 31' ' ' ILE . 96.6 t -112.93 152.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.5 mp -131.16 111.84 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.537 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 10.5 mt -113.58 123.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.79 43.01 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.86 29.52 14.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -104.61 148.55 26.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.93 105.95 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 43.9 m-85 -86.91 157.84 54.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.692 0.758 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.83 105.78 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 174.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.83 158.06 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -97.6 148.39 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.09 159.35 28.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -64.55 -51.32 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -117.84 156.93 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HE3' ' CD1' ' A' ' 47' ' ' PHE . 27.1 mmtp -40.18 -49.79 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.45 -53.84 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -43.96 -38.81 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.48 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -46.35 -46.56 18.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.08 -49.69 74.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.47 -47.21 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.43 86.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 19.8 tttm -50.15 -51.16 45.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -63.41 -38.18 90.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.62 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.5 t -49.39 -46.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -36.49 66.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.91 -56.06 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.2 mt -42.43 -53.34 4.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' LEU . 7.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.42 -41.43 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 74.8 mtp -52.95 -27.85 20.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.06 -37.49 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -68.65 -26.98 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 31' ' ' ILE . 12.5 mt -65.83 -60.29 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.35 -44.99 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.59 -22.48 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 21.9 t80 -94.98 -32.05 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.556 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.2 ptt85 -71.68 -29.04 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -84.16 -29.69 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -77.19 -57.77 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.556 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.1 m-70 -71.33 -31.81 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.35 48.09 3.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.7 m -113.41 171.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.33 117.05 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -103.69 125.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -127.33 129.77 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 51' ' ' VAL . 6.4 m-85 -99.45 106.81 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -87.34 143.64 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -99.95 119.66 38.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 48' ' ' THR . 7.7 mt -97.0 -178.31 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -76.22 178.06 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 46' ' ' ARG . 30.4 m -104.95 125.58 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -120.06 146.03 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.7 -171.45 22.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.592 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.72 168.6 21.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.82 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.6 p-80 -61.43 -51.97 66.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.36 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.1 mmt180 -102.13 122.45 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 38' ' ' THR . 21.0 mmt85 -102.56 123.57 46.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -89.79 126.31 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.537 HG22 HD12 ' A' ' 36' ' ' LEU . 88.6 m -97.96 144.83 27.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -142.52 168.24 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.7 pt20 -155.74 156.38 34.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 31' ' ' ILE . 75.7 t -117.06 153.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.2 112.18 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.1 mt -114.3 118.28 58.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 65.03 45.97 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 60.96 24.99 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 36.6 tttp -102.0 142.67 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -100.1 108.55 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 53' ' ' ILE . 35.3 m-85 -88.31 158.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.657 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.73 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.61 -179.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.6 158.52 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -96.5 143.33 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.92 131.48 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 55.9 mtp180 -35.42 -60.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -110.13 171.92 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.76 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -71.24 -46.68 60.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.76 -35.87 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.28 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -49.92 -44.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -64.43 -43.87 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -54.86 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.63 -32.43 18.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -75.08 -26.19 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -60.74 -45.5 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.2 mt -66.48 -38.15 86.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.25 -62.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 74' ' ' ALA . 99.1 t -45.64 -36.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.79 -47.65 82.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.81 -50.43 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -46.48 -52.7 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 40.7 m-85 -64.21 -52.69 57.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.5 mtp -40.33 -47.88 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.651 ' HE3' HG11 ' A' ' 78' ' ' VAL . 37.0 mtmt -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 31' ' ' ILE . 11.8 mt -55.23 -59.3 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -52.9 -33.47 50.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -70.5 -23.17 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.699 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 13.0 t80 -94.88 -33.46 12.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.4 ptt180 -63.3 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -87.69 -40.57 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.4 ttm -61.5 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 37.9 m80 -78.22 -47.22 18.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 47.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.8 m -114.25 167.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.79 110.42 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 HD22 ' A' ' 20' ' ' LEU . 31.2 mt -92.32 135.23 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.2 m -133.2 128.91 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD2' HG22 ' A' ' 51' ' ' VAL . 34.2 m-85 -103.02 103.82 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -85.35 123.37 30.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.8 118.32 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.78 HD12 HG22 ' A' ' 48' ' ' THR . 58.8 mt -92.56 168.27 11.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.8 m -73.35 167.41 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 m -93.85 145.66 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.4 m -140.81 135.24 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -170.04 24.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.74 169.86 17.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.88 2.97 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.6 p-80 -66.96 -52.0 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 15.0 t0 -109.11 115.24 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.4 mmt180 -110.54 127.92 55.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -101.3 115.79 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.1 120.32 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD12 ' A' ' 36' ' ' LEU . 5.4 m -95.52 144.7 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -145.44 168.85 19.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.548 ' OE1' HD21 ' A' ' 36' ' ' LEU . 8.4 pt20 -158.12 147.76 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 33' ' ' TYR . 47.2 t -109.33 154.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.31 113.13 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.5 mt -114.13 124.78 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t0 59.88 43.66 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 61.52 34.66 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 21.7 ttmt -110.59 149.3 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -104.55 108.57 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' A' ' 53' ' ' ILE . 42.2 m-85 -89.13 158.26 46.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.693 0.758 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 108.53 2.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.494 ' CD ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -48.74 178.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.42 158.42 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -95.12 145.33 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.1 130.8 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLY . 19.4 ttp180 -34.63 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.833 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -111.75 171.57 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -51.84 -39.73 59.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -42.83 -38.55 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.18 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -52.82 -44.7 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -66.1 -49.0 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.93 -37.42 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.75 85.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 81.3 tttt -49.26 -48.27 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.29 -34.99 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.28 -63.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.651 HG11 ' HE3' ' A' ' 19' ' ' LYS . 63.3 t -46.68 -41.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -52.83 -49.22 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.3 -48.08 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 53' ' ' ILE . 21.9 mt -57.29 -43.91 83.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.1 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.07 -48.2 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.2 mtp -47.57 -34.76 8.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.2 -34.58 70.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.9 mtmt -70.12 -36.71 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.01 -55.55 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -56.1 -37.36 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.81 -22.68 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.5 t80 -95.08 -28.39 15.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.622 ' HA ' HG22 ' A' ' 29' ' ' VAL . 18.0 ptt85 -70.2 -30.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' MET . 11.6 pt20 -88.09 -35.89 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 8.6 mtm -66.48 -47.52 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.0 m-70 -81.5 -47.56 12.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 52.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.3 m -120.22 176.94 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.69 111.83 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG23 ' CG1' ' A' ' 51' ' ' VAL . 22.0 mt -97.67 136.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -134.36 128.61 34.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 51' ' ' VAL . 35.6 m-85 -98.99 107.38 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -88.81 123.77 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.4 tt0 -83.9 119.93 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 48' ' ' THR . 9.9 mt -97.93 167.35 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -65.45 175.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 45' ' ' ARG . 41.0 m -100.76 137.22 39.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -132.58 133.28 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.05 -173.26 23.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 170.01 17.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -58.66 -53.67 55.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.13 115.14 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 38' ' ' THR . 11.4 mmt180 -99.68 123.99 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 mmt-85 -107.2 112.98 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -87.62 129.04 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.926 HG22 HD12 ' A' ' 36' ' ' LEU . 10.2 m -96.99 137.92 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 35' ' ' GLU . 12.7 m-85 -138.72 163.58 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.04 149.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 33' ' ' TYR . 78.6 t -107.59 154.36 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.26 111.15 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 17.2 mt -114.07 134.49 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 50.85 45.19 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.26 26.48 16.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -103.84 147.31 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.8 112.32 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -90.6 157.88 43.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 109.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' HG22 ' A' ' 48' ' ' THR . 2.4 pm0 -49.49 169.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.73 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -95.69 146.38 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.87 141.35 9.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -45.97 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 m -110.05 177.99 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -56.52 -55.43 33.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 mp0 -59.19 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -38.71 -35.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.91 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' GLN . 35.6 mtt180 -59.22 -46.06 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -57.52 -58.0 10.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -44.86 -61.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.84 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.61 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ALA . 43.9 tttp -50.98 -49.54 60.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.8 mt -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.68 -63.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.2 t -48.52 -39.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.89 -42.95 94.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -67.96 -46.31 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.8 mt -55.17 -43.68 74.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.831 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -55.74 -45.5 78.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.488 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 29.2 mmm -49.18 -47.39 46.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -30.01 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -75.64 -36.48 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 31' ' ' ILE . 11.5 mt -62.29 -59.0 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -54.23 -28.88 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -74.69 -24.5 58.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 33.2 t80 -94.8 -20.59 19.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' HG22 ' A' ' 29' ' ' VAL . 22.7 ptt85 -79.54 -33.99 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -82.28 -32.89 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.6 mtm -72.47 -58.42 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 19.0 m-70 -69.73 -49.19 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.13 45.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.1 m -112.58 157.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.603 HG23 ' CG1' ' A' ' 51' ' ' VAL . 8.2 mt -95.64 130.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -133.34 130.67 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CD2' HG22 ' A' ' 51' ' ' VAL . 50.2 m-85 -101.57 106.94 18.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -86.94 123.53 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.92 109.02 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 48' ' ' THR . 12.6 mt -86.48 -179.89 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -75.18 -176.85 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.926 HG23 ' O ' ' A' ' 46' ' ' ARG . 44.0 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -132.63 123.35 26.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.85 32.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.43 3.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.15 -47.41 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.05 115.21 29.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.0 mmt180 -105.69 119.93 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 38' ' ' THR . 50.1 mmt-85 -92.49 115.06 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.28 120.61 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 36' ' ' LEU . 25.2 m -95.41 144.55 25.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 25.9 m-85 -143.22 166.95 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.0 pt20 -157.56 151.68 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.707 HG22 ' CD2' ' A' ' 33' ' ' TYR . 89.4 t -110.11 154.57 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.08 110.97 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.7 mt -113.58 124.96 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 56.99 46.88 18.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 59.31 29.43 18.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 12.4 ttmm -107.09 130.83 54.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -89.55 106.36 18.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.0 m-85 -85.79 158.72 56.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 105.67 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.3 pm0 -47.69 175.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.92 160.48 43.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -95.86 152.39 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.31 152.66 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.15 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -119.0 160.06 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -40.22 -56.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.2 -53.7 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -46.98 -38.87 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.04 -48.66 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -52.65 -48.39 66.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.8 -37.16 73.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.28 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -52.18 -31.49 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.77 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 43.3 tttm -49.25 -42.62 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 59' ' ' PRO . 16.9 mt -70.01 -37.3 75.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.16 -61.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -48.04 -45.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.34 -31.61 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.99 -55.08 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' ASP . 48.5 mt -42.24 -49.81 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.76 -50.69 65.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.523 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 92.0 mtp -45.7 -40.88 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.8 -39.69 79.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' HG11 ' A' ' 78' ' ' VAL . 24.2 mtmt -61.89 -32.18 72.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 31' ' ' ILE . 8.5 mt -68.19 -58.35 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 17' ' ' MET . 20.1 m-80 -52.48 -30.33 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -74.09 -23.47 59.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t80 -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.1 ptt180 -67.71 -30.3 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -88.24 -30.51 19.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.86 -45.37 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 m-70 -86.94 -36.95 18.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.51 44.1 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.2 m -110.18 164.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.33 110.71 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.528 HD13 HD22 ' A' ' 20' ' ' LEU . 10.7 mt -95.41 130.63 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.4 m -130.35 134.76 47.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.595 ' CD2' HG22 ' A' ' 51' ' ' VAL . 63.0 m-85 -104.44 104.29 14.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -85.32 119.66 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.82 116.43 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.933 HD12 HG22 ' A' ' 48' ' ' THR . 11.2 mt -95.15 171.33 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 p -65.37 173.83 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 m -111.2 135.5 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -132.68 158.33 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.53 -170.88 17.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.1 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 49.7 p-80 -58.46 -51.88 67.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 1.2 m-20 -108.63 115.17 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -100.75 118.6 37.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -97.4 113.75 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -89.69 131.03 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.933 HG22 HD12 ' A' ' 36' ' ' LEU . 15.2 m -99.01 137.47 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -135.63 166.24 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -157.23 139.77 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 33' ' ' TYR . 93.4 t -102.12 154.59 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.18 114.01 14.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.4 mt -115.21 133.95 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 t70 52.35 39.48 27.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.61 34.3 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 23.6 tttm -111.56 142.97 43.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -97.97 107.76 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -87.29 158.4 52.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.77 106.0 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -47.4 172.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.02 41.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -94.83 146.17 24.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -42.69 -56.76 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -110.88 178.31 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -58.27 -56.49 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.31 -55.11 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -42.86 -35.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -58.48 -43.56 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.81 -49.08 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -55.46 -63.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.53 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' ALA . 45.2 tttp -50.91 -50.5 57.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.6 mt -64.94 -36.51 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.39 -61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.0 t -50.78 -47.08 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.11 -45.97 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.5 -59.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 78' ' ' VAL . 27.8 mt -37.75 -54.97 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -64.77 -49.51 70.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.2 mtp -46.09 -40.77 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.61 -33.86 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.52 -37.95 77.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.93 -53.11 61.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.11 -56.64 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -47.86 -20.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 56.5 t80 -94.88 -37.24 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.657 ' HA ' HG22 ' A' ' 29' ' ' VAL . 15.7 ptt180 -66.65 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.68 -20.87 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 ttm -82.6 -53.38 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 26.6 m80 -77.53 -36.62 52.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.36 45.34 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.7 m -108.56 179.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.06 110.94 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 5.1 mt -96.52 129.49 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 m -130.54 128.9 42.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.536 ' CD2' HG22 ' A' ' 51' ' ' VAL . 14.6 m-85 -101.21 104.04 15.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -81.05 133.7 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.78 107.03 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD12 HG22 ' A' ' 48' ' ' THR . 18.7 mt -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 t -83.5 172.99 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 m -91.01 147.72 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.3 p -142.63 148.24 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.42 -169.77 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.36 19.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.377 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.53 3.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -66.82 -50.04 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -107.96 115.18 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -103.24 124.89 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -104.96 126.09 51.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -93.28 129.87 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.66 HG22 HD12 ' A' ' 36' ' ' LEU . 16.9 m -102.45 147.3 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.83 157.0 43.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -145.29 155.09 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.7 t -116.31 152.8 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 114.12 14.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.5 mt -117.68 122.24 69.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 61.55 46.69 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 59.8 27.05 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -105.05 140.7 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -99.06 109.6 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.735 ' CE1' HD12 ' A' ' 53' ' ' ILE . 40.5 m-85 -88.14 158.07 50.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.26 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.91 156.12 36.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -94.62 153.79 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.38 141.76 8.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -51.14 -58.92 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -106.23 154.23 21.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -42.73 -47.03 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.32 -44.49 75.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -55.47 -34.63 64.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.6 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -56.02 -47.79 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.35 -41.06 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.81 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -52.7 -48.41 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.8 mt -64.33 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.6 -58.6 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.25 -42.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.8 -36.08 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -76.76 -56.01 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' ASP . 44.4 mt -39.86 -55.07 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' LEU . 9.1 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.88 -42.73 99.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.8 mtp -58.15 -28.72 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.39 -31.91 48.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.4 mtmt -68.79 -32.89 72.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.52 -62.46 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -52.05 -27.78 14.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.94 -23.97 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 22.2 t80 -94.83 -23.04 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -72.0 -31.2 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 1.3 ptp -56.9 -44.7 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 29.9 m80 -84.22 -45.73 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.32 35.0 3.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.1 m -97.5 -177.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 110.81 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 4.4 mt -97.22 128.37 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 m -128.79 132.46 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -105.21 103.79 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.89 153.23 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -107.09 107.08 17.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.9 mt -88.45 165.95 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -58.9 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.9 m -119.26 128.38 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.8 m -119.11 160.72 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -174.38 16.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.29 19.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 41' ' ' PRO . 22.0 p80 -58.81 -52.19 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -109.11 115.25 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -101.06 127.96 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mmt85 -108.27 121.93 45.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -88.35 135.22 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 36' ' ' LEU . 21.0 m -105.79 131.15 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -132.56 163.85 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -152.2 162.37 41.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 31' ' ' ILE . 97.8 t -120.47 152.65 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.15 117.07 18.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 58' ' ' PHE . 14.7 mt -119.73 128.42 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.06 41.99 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.89 27.74 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -104.69 144.08 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.91 112.44 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.3 m-85 -90.78 157.84 43.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.68 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.76 104.79 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.1 pm0 -48.65 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -155.25 158.65 39.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.93 152.86 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.86 137.7 6.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -39.86 -55.87 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 p -117.75 163.22 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.8 -47.57 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.73 -43.82 79.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.24 -33.9 68.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.93 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -50.66 -46.41 58.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.78 -48.97 79.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -56.85 -59.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -44.1 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.7 tttt -49.96 -46.6 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.2 mt -67.5 -39.56 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.0 -63.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 19' ' ' LYS . 16.2 t -46.08 -43.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.87 -35.47 68.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.0 mt -74.28 -52.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.32 -55.56 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 24.6 m-85 -54.08 -47.07 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.524 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 38.2 mmm -44.56 -45.85 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -30.33 70.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -76.19 -35.07 59.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 13.4 mt -64.29 -56.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.38 -53.73 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -49.94 -21.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.722 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 7.5 t80 -94.8 -38.83 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -63.87 -42.94 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 7.1 pt20 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.529 ' CE ' ' CE1' ' A' ' 27' ' ' HIS . 43.4 ttp -75.9 -64.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 58.2 m80 -62.87 -38.53 91.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.94 42.85 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.0 m -108.39 163.72 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.2 113.63 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 8.7 mt -100.71 127.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -128.42 130.01 46.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.602 ' CD2' HG22 ' A' ' 51' ' ' VAL . 67.8 m-85 -99.33 103.93 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -83.4 117.09 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.32 124.93 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 48' ' ' THR . 27.7 mt -100.76 168.62 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -70.38 175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.468 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -94.05 150.87 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -145.26 135.82 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.46 -171.23 23.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.624 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.76 169.61 18.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -32.71 17.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CD2' ' HB2' ' A' ' 41' ' ' PRO . 22.8 p80 -75.75 -53.65 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -108.88 115.18 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HB3' HG21 ' A' ' 38' ' ' THR . 21.0 mmt180 -104.4 132.39 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -108.98 117.85 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.77 121.95 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.601 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.56 148.48 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -147.16 165.6 29.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 8.8 pt20 -154.8 151.39 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 33' ' ' TYR . 61.4 t -110.09 152.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 110.65 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.9 mt -116.41 131.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' CD ' ' A' ' 55' ' ' GLU . 3.7 t70 54.14 47.79 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 3.4 mp0 56.65 34.51 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -112.5 139.57 47.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.77 108.37 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.9 m-85 -87.55 158.17 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 107.59 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -49.53 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.21 159.69 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -97.55 145.18 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.07 140.94 9.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -49.99 -53.73 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -109.22 163.05 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -50.19 -61.15 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.11 -44.38 91.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.03 -37.08 52.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.75 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -59.13 -43.06 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -63.68 -37.55 87.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.03 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.46 -33.59 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -69.54 -37.28 77.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 55.2 tttm -49.56 -51.09 39.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.67 -61.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 81' ' ' LEU . 73.5 t -48.28 -39.13 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.45 -36.04 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.7 -51.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 78' ' ' VAL . 38.4 mt -43.91 -57.49 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' N ' HD22 ' A' ' 71' ' ' ASN . 25.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 19.1 m-85 -54.74 -47.78 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.5 mtp -46.06 -42.17 13.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -32.85 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -71.63 -31.61 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.3 -57.31 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -49.48 -48.89 47.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.35 -21.09 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -94.97 -29.65 14.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.8 ' HA ' HG22 ' A' ' 29' ' ' VAL . 23.2 ptt85 -75.53 -30.59 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -88.97 -18.13 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 ttm -87.38 -51.35 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -80.82 -29.94 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.7 47.05 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 24' ' ' ARG . 23.6 m -112.57 166.81 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 110.78 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.458 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.0 mt -98.36 133.66 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.7 m -131.63 137.51 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.533 ' CD2' HG22 ' A' ' 51' ' ' VAL . 58.6 m-85 -105.92 103.82 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -85.53 127.46 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -83.02 129.39 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 48' ' ' THR . 29.8 mt -106.35 169.17 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -62.1 -176.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -118.23 132.09 56.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 p -125.15 163.16 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.74 -172.72 14.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 169.98 17.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.98 2.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -64.87 -49.24 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 46' ' ' ARG . 11.0 t70 -109.04 115.21 29.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -102.33 123.75 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 47.4 mmt-85 -102.93 114.74 29.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 16.7 m-85 -88.96 125.99 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.684 HG22 HD12 ' A' ' 36' ' ' LEU . 13.8 m -96.67 146.28 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 66' ' ' LYS . 16.2 m-85 -143.94 168.28 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -156.65 148.93 23.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.9 t -108.23 154.49 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.4 110.73 11.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.9 mt -113.48 130.83 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 54.99 39.24 31.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 64.16 32.58 12.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -110.98 135.02 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -90.01 108.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 77' ' ' ALA . 30.6 m-85 -87.83 158.95 49.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.79 106.03 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -48.36 175.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' THR . . . -154.25 160.7 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -99.03 156.73 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -163.83 137.7 4.9 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLY . 34.3 ttt180 -36.79 -60.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -119.86 158.14 27.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -39.21 -51.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -32.98 70.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.87 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.502 HD22 ' N ' ' A' ' 15' ' ' PHE . 11.1 t-20 -62.41 -48.54 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.1 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -38.69 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.93 -29.67 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 56.5 tttm -56.47 -48.78 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.5 mt -64.38 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -68.77 -62.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 74' ' ' ALA . 45.4 t -47.89 -41.27 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.61 -45.25 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LEU . 71.8 mt -65.15 -57.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ASP . 52.9 mt -37.99 -55.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 18.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -129.69 122.01 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -127.33 169.24 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.89 52.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -112.17 100.89 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -137.83 133.72 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.08 -89.38 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 mtm -72.45 -51.71 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.69 141.23 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -109.08 119.8 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.47 49.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 13' ' ' PRO . 98.6 m -62.86 138.98 97.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.178 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.75 81.32 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.65 64.4 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.81 -56.71 13.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -60.57 -50.75 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.0 mtp -47.2 -29.05 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.68 -33.94 53.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -69.23 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 31' ' ' ILE . 13.1 mt -60.8 -62.02 2.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -49.08 -49.11 43.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -53.47 -21.55 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t80 -94.89 -40.95 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 29' ' ' VAL . 12.5 ptt85 -60.14 -28.11 67.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -81.31 -52.27 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 mtm -56.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 27.9 m-70 -71.01 -49.92 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.55 41.87 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 24' ' ' ARG . 28.6 m -104.66 171.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.06 112.87 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 3.3 mt -101.81 127.13 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -129.64 134.94 47.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD2' HG22 ' A' ' 51' ' ' VAL . 13.2 m-85 -104.79 103.86 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -81.89 128.45 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -86.68 101.54 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 48' ' ' THR . 11.9 mt -79.77 168.21 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -69.71 -176.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 m -101.95 141.64 34.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 m -135.76 132.47 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.07 -173.44 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.85 18.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -35.84 11.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -72.32 -52.48 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -108.88 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -101.96 132.3 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -115.28 118.16 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -87.32 125.25 34.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.767 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.64 145.94 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.0 158.95 43.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 36' ' ' LEU . 7.9 pt20 -151.58 156.33 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 31' ' ' ILE . 93.7 t -114.5 154.56 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 113.24 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 58' ' ' PHE . 17.0 mt -115.69 126.28 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 58.32 45.16 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 61.04 29.29 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -106.64 146.26 30.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -102.99 112.24 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 39.5 m-85 -91.2 157.75 42.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.76 103.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' CD ' HD13 ' A' ' 36' ' ' LEU . 9.0 pt-20 -46.43 173.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.65 156.28 41.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -94.96 151.03 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.26 141.82 7.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -43.67 -59.49 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 t -118.94 164.22 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.66 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.38 -59.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -49.58 -35.26 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.45 -56.65 6.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -51.96 -47.72 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -57.4 -45.32 84.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.35 21.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.92 -38.31 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -66.88 -35.34 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.74 -47.53 67.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.01 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 74' ' ' ALA . 30.2 t -51.16 -36.25 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mt -78.43 -54.49 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 84' ' ' GLU . 23.7 mt -41.61 -58.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t0 -36.62 -35.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -96.48 -31.65 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mm-40 52.12 33.76 12.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -98.09 80.95 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 150.37 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.8 t -99.41 135.08 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -56.47 131.21 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.63 -58.14 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 21.9 p-80 -87.65 115.97 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.2 m -85.59 116.62 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -60.67 104.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.73 -158.79 4.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -43.78 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 p -116.03 -37.19 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.509 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -154.96 168.2 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -87.21 95.61 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.86 -103.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -123.17 154.12 39.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -174.94 116.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.15 75.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.08 110.02 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.29 39.62 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.8 t -112.27 143.35 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -88.61 43.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.3 m -52.14 136.73 38.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.5 Cg_endo -69.78 -20.67 34.46 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.643 2.228 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.31 79.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -88.42 -58.72 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 42.3 m-85 -66.31 -57.38 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.0 mtp -40.7 -33.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.66 -37.42 62.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' TYR . 40.6 mtmt -65.98 -40.52 91.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.24 -61.35 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.38 -46.27 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -57.79 -22.49 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.4 t80 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.559 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.6 ptt85 -65.56 -41.38 93.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.4 -19.27 53.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.3 mmm -80.99 -48.61 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.9 m-70 -84.19 -48.72 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.16 46.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 24' ' ' ARG . 14.6 m -110.39 176.49 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.39 112.21 20.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 24' ' ' ARG . 3.1 mt -99.18 127.31 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -129.85 133.04 46.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CD2' HG22 ' A' ' 51' ' ' VAL . 43.6 m-85 -101.73 108.04 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -89.29 122.19 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 3.6 tm-20 -81.69 108.12 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 48' ' ' THR . 26.9 mt -84.17 174.59 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.4 m -72.4 -175.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.19 148.89 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -144.91 142.56 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.45 -171.58 21.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.559 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.5 Cg_endo -69.8 169.83 18.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 10.0 p-80 -63.11 -52.23 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.06 115.19 29.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.69 118.29 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -97.4 120.41 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 22.5 m-85 -88.5 126.52 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 36' ' ' LEU . 17.5 m -95.49 150.04 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -149.35 168.26 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.22 148.75 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 31' ' ' ILE . 47.1 t -109.63 153.37 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.03 111.3 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.6 mt -114.76 134.47 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.22 44.47 28.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.05 27.8 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 25.4 ttmt -105.1 142.76 34.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -99.81 110.1 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.1 m-85 -89.0 158.08 47.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.74 108.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.91 177.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.82 162.22 38.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -97.65 153.37 18.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 128.9 2.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -38.9 -63.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.4 t -103.16 146.69 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' SER . 26.5 mmtp -36.17 -53.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.78 -59.45 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -41.04 -38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.48 86.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -53.74 -43.16 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.17 -41.22 96.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -63.11 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.79 -41.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 35.6 tttm -49.59 -50.09 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 59' ' ' PRO . 21.8 mt -64.55 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.71 -64.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.9 t -45.0 -39.48 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.35 -48.22 81.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.06 -54.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' A' ' 58' ' ' PHE . 28.3 mt -45.27 -51.63 10.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -38.2 -35.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -101.56 -29.27 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 54.33 39.02 30.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 30.0 t30 41.44 34.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' ASN . 6.0 ttmm 37.15 43.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.11 172.38 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -39.53 126.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.26 -53.62 6.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -83.94 145.91 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 p -55.05 164.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -152.52 145.03 24.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.08 81.95 1.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.13 49.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.282 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -87.0 121.01 28.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -141.29 105.34 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -98.05 139.76 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -118.34 42.16 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.16 -173.06 15.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 p -68.8 95.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -40.46 -61.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -143.7 -43.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 6.6 ttt -34.65 115.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.04 112.71 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.7 p -62.03 172.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.93 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.658 HG23 ' HD2' ' A' ' 13' ' ' PRO . 95.2 m -86.49 139.09 33.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.81 81.49 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.76 61.58 1.05 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 16.3 t80 -85.44 -46.85 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -75.46 -51.04 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 73.5 mtp -47.24 -36.95 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -38.2 89.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 15' ' ' PHE . 25.4 mttt -63.83 -47.88 79.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 HD13 ' A' ' 31' ' ' ILE . 11.1 mt -49.08 -60.97 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -52.03 -35.29 46.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -69.68 -24.44 63.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.3 t80 -94.91 -28.18 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 29' ' ' VAL . 19.0 ptt85 -72.39 -34.0 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.45 -31.17 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -71.41 -57.38 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 17.2 m-70 -72.92 -52.61 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 24' ' ' ARG . 35.7 m -110.38 162.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 115.5 30.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.757 HD13 HD22 ' A' ' 20' ' ' LEU . 14.9 mt -98.8 129.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.7 m -130.44 129.35 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.7 m-85 -100.51 103.75 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -83.77 124.45 30.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -80.51 120.26 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.966 HD12 HG22 ' A' ' 48' ' ' THR . 17.0 mt -100.75 173.53 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -71.24 176.39 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 46' ' ' ARG . 26.6 m -115.62 135.3 54.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -132.47 132.85 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.57 30.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.95 17.67 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.305 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -57.23 -52.72 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.08 115.19 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.77 112.66 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 38' ' ' THR . 38.2 mmt180 -87.13 113.23 22.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 76.0 m-85 -92.05 123.76 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.966 HG22 HD12 ' A' ' 36' ' ' LEU . 15.1 m -91.3 141.11 29.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 19.6 m-85 -141.41 159.35 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -150.62 143.59 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.2 t -105.29 154.71 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.17 116.93 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.3 mt -118.79 136.26 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 49.22 41.17 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 63.44 36.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -114.98 144.62 43.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.47 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 53' ' ' ILE . 31.4 m-85 -90.31 158.41 43.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.828 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.1 Cg_endo -69.78 108.72 2.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -49.02 178.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.5 158.14 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -94.4 155.65 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.81 144.12 11.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -46.1 -57.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.2 p -117.78 152.01 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 5.4 mmmt -34.67 -53.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -63.72 -48.26 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -50.96 -37.62 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.18 -44.15 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.22 -46.59 88.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.83 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -39.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.41 78.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 37.7 tttp -49.36 -46.55 47.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.2 mt -66.32 -39.19 89.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.82 -62.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -49.79 -40.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.83 -37.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.41 -54.26 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 83' ' ' ASN . 33.3 mt -45.82 -54.94 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' LEU . 39.3 t0 -37.25 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.2 m-20 -106.78 -28.8 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.5 mt-10 52.9 34.4 16.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' LYS . 7.6 m-20 -102.19 42.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 86' ' ' LYS . 8.1 tmtm? -37.31 125.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -53.71 107.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -97.72 77.89 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.82 102.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -74.81 130.66 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 t -143.56 160.92 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -66.13 147.18 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.0 158.55 10.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 95.57 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -127.08 96.13 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 61.29 51.2 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -151.34 121.72 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 p -99.3 117.68 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.04 -123.25 0.64 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -125.13 138.33 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -157.29 138.64 13.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.88 102.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 -177.25 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.76 60.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -98.43 177.62 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 71.9 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -72.91 137.06 79.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.584 0.707 . . . . 0.0 111.138 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.77 -17.68 37.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.15 81.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.83 -68.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 26.7 m-85 -49.22 -52.32 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.2 mtp -44.56 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -31.06 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -71.59 -34.34 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 14.9 mt -61.66 -49.86 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.89 -56.18 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -49.44 -21.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.94 -30.86 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.615 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -75.39 -28.23 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.06 -23.98 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 9.7 ptm -82.85 -44.69 15.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' MET . 25.1 m80 -83.11 -27.37 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.24 47.66 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 24' ' ' ARG . 31.2 m -112.58 -179.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.31 111.07 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.3 mt -98.49 131.92 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -130.54 129.56 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.541 ' CD2' HG22 ' A' ' 51' ' ' VAL . 18.7 m-85 -99.74 104.02 15.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -84.62 135.38 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -91.09 121.12 32.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 48' ' ' THR . 15.7 mt -97.02 176.9 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -71.57 -175.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.2 m -113.46 151.36 31.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -144.91 162.97 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.58 -171.4 13.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 169.91 17.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.08 3.69 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -65.61 -52.6 50.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -109.0 115.12 29.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -101.77 132.11 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 29.4 mmt180 -106.51 123.89 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 29.6 m-85 -94.84 127.39 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 36' ' ' LEU . 8.8 m -100.18 139.49 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.6 162.37 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -150.68 146.24 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 33' ' ' TYR . 99.8 t -106.61 154.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.19 110.18 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.7 mt -114.49 122.97 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t0 63.24 42.82 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 62.01 25.63 15.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 23.1 ttmt -103.43 141.9 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.57 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.0 m-85 -84.76 158.29 59.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.731 0.777 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.83 174.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.6 158.97 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -99.02 151.88 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.47 134.03 3.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -39.18 -56.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -113.59 160.85 18.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -40.58 -45.73 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.33 -53.5 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -44.99 -34.31 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 47' ' ' PHE . . . -72.56 -47.94 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.22 -47.35 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.16 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -70.11 -31.21 68.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 59.3 tttt -57.68 -49.23 77.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.7 mt -63.58 -37.63 88.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.73 -59.49 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 40.1 t -51.34 -35.78 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.52 -40.12 93.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.27 -52.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 78' ' ' VAL . 32.2 mt -42.42 -56.96 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -35.73 -34.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' LEU . 8.4 t-20 -102.03 -28.42 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' LEU . 2.5 mm-40 53.44 35.34 20.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 20.9 t-20 52.66 43.33 31.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -104.69 94.76 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.8 m -57.33 146.77 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -86.08 82.82 7.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.37 148.7 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -87.08 90.74 8.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 p -102.15 130.32 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -75.97 128.31 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.21 -158.16 11.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.33 27.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.3 t -107.34 -49.08 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.7 p 45.29 39.91 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -58.73 134.35 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -62.32 -56.39 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.39 137.25 25.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -71.56 134.77 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -103.58 128.51 50.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 -111.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -89.98 -53.85 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 143.44 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -93.46 147.95 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 9.5 p-10 -105.77 82.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.8 m -103.45 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.541 0.686 . . . . 0.0 111.159 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.8 96.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.04 76.95 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -90.9 -54.07 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -66.02 -51.31 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.2 mtp -42.93 -42.73 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.96 -39.74 90.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE3' HG11 ' A' ' 78' ' ' VAL . 22.3 mtmt -62.55 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 20' ' ' LEU . 12.2 mt -50.54 -54.21 24.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -52.37 -60.22 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -45.59 -21.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.4 t80 -93.63 -34.79 13.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.8 ptt85 -70.1 -30.38 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.66 -26.4 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.2 ttp -78.14 -57.35 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.702 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 45.3 m-70 -72.37 -35.46 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.51 48.2 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.3 m -113.52 177.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 111.16 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG23 ' CG1' ' A' ' 51' ' ' VAL . 4.0 mt -97.96 130.65 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -129.24 136.16 49.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.28 105.33 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -86.24 122.97 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.39 110.18 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 HG22 ' A' ' 48' ' ' THR . 43.6 mt -85.78 168.69 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 t -68.22 -174.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 45' ' ' ARG . 20.1 m -110.61 141.75 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -137.7 135.02 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.68 -168.15 25.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 169.51 18.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.65 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 45.2 p-80 -73.49 -48.65 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.2 t0 -107.49 115.07 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 38' ' ' THR . 19.1 mmt85 -106.61 119.94 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -97.42 114.29 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 66' ' ' LYS . 27.2 m-85 -87.35 115.68 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.853 HG22 HD12 ' A' ' 36' ' ' LEU . 10.7 m -87.61 148.1 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -144.56 165.45 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -155.46 146.92 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 31' ' ' ILE . 69.1 t -108.04 152.95 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.26 110.17 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.2 mt -111.5 124.2 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 59.25 45.58 13.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 61.89 26.1 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -101.56 148.12 25.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -105.2 108.45 19.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.4 m-85 -89.45 158.05 46.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 106.54 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.6 pm0 -45.79 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.31 158.76 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -97.74 143.55 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.22 135.32 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 64' ' ' ARG . 8.4 ttp-105 -38.51 -56.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -116.28 164.79 13.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mmtt -43.69 -54.77 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ARG . 4.9 mt-30 -61.26 -63.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLN . 3.7 tp10 -35.4 -39.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.32 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' GLN . 84.2 mtt180 -49.75 -43.35 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -42.33 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.83 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.44 70.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.81 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -52.73 -47.29 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.5 mt -66.36 -37.38 85.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.99 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 ' HE3' ' A' ' 19' ' ' LYS . 68.1 t -45.54 -39.83 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.24 85.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.01 -48.03 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' ASN . 40.1 mt -49.71 -52.45 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -39.64 -27.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.1 t-20 -108.28 -28.35 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' C ' ' HE3' ' A' ' 86' ' ' LYS . 21.1 mt-10 54.99 37.03 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -92.32 79.48 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -70.31 87.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.12 148.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -47.75 129.5 14.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 25.2 p -128.65 -41.35 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -48.63 164.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -79.65 127.61 32.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -134.7 166.61 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.93 -93.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.26 18.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.7 p -64.34 102.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -54.3 -50.64 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 50.33 41.94 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 t -111.54 96.25 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.06 171.19 23.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -115.67 169.88 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -48.79 123.87 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.91 77.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tpt -123.56 84.38 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.27 160.96 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.2 p -90.86 141.35 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -83.02 51.45 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.1 m -149.31 136.91 11.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.9 Cg_endo -69.79 -7.13 20.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.272 . . . . 0.0 112.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.08 76.01 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -84.96 -51.76 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.4 m-85 -68.6 -56.69 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.3 mtp -41.95 -41.58 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.27 -36.7 84.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HE3' HG11 ' A' ' 78' ' ' VAL . 33.7 mtmt -64.3 -39.87 94.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.49 -53.63 55.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.7 -41.2 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -62.14 -22.22 65.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 30.4 t80 -94.93 -36.82 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HA ' HG22 ' A' ' 29' ' ' VAL . 20.3 ptt85 -62.91 -35.56 80.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.94 -18.91 35.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 mmm -81.22 -46.99 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.7 m-70 -86.51 -38.02 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.6 44.44 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.2 m -109.04 172.97 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.96 113.01 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 51' ' ' VAL . 7.9 mt -99.53 129.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -129.74 128.15 41.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD2' HG22 ' A' ' 51' ' ' VAL . 9.9 m-85 -97.68 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -83.84 132.39 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.15 117.61 28.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 48' ' ' THR . 13.8 mt -93.9 173.79 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 t -74.65 173.91 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 46' ' ' ARG . 24.6 m -96.87 136.03 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -132.58 120.9 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.29 -168.02 33.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.73 168.84 20.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 54.1 p-80 -60.22 -51.22 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 2.7 t70 -108.86 115.19 29.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.7 mmt85 -101.53 118.79 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' THR . 19.3 mmt85 -95.36 119.46 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.13 125.31 34.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 36' ' ' LEU . 31.1 m -96.48 144.12 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -142.09 161.04 38.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -152.63 149.25 28.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 33' ' ' TYR . 97.2 t -109.48 153.77 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.36 110.76 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.4 mt -113.63 131.5 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 54.09 43.65 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 62.58 24.99 14.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -102.26 146.48 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.64 108.71 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.613 ' CE1' HD12 ' A' ' 53' ' ' ILE . 34.3 m-85 -89.11 158.31 46.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 36' ' ' LEU . 3.7 pm0 -49.08 178.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.26 156.86 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.19 142.53 30.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.59 133.9 4.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 14.7 ttp-105 -44.57 -51.56 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -109.33 164.28 12.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -53.7 -47.64 70.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -60.87 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 14.4 tt0 -41.45 -39.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.8 87.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -57.0 -45.66 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.08 -40.9 86.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.76 -65.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.86 -33.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.29 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.4 tttt -53.39 -46.56 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.37 -36.0 76.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.87 -62.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.633 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.4 t -47.96 -41.37 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.62 -44.99 81.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.19 -43.07 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.19 -40.93 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -37.36 86.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.31 -34.07 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.9 -25.51 57.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 86' ' ' LYS . 4.5 t-20 -100.79 76.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASN . 32.6 ttpt -36.08 124.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.15 139.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.92 99.27 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.5 m -149.54 126.61 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.97 109.68 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -151.34 141.13 21.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -45.75 -57.97 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.24 72.05 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.54 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 t -66.25 166.56 11.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.7 p -144.04 175.36 10.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -68.54 136.14 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -89.52 112.37 23.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.92 -121.99 1.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 55.57 43.48 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -95.0 -53.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.21 146.28 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -109.32 157.21 19.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.97 -44.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.0 m -113.33 -62.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' SER . 2.6 m-20 36.68 32.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -65.2 136.59 96.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.149 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.73 -2.73 10.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.77 80.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -89.85 -50.57 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -63.71 -50.92 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.2 mtp -46.93 -33.72 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.02 -34.44 50.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' HG11 ' A' ' 78' ' ' VAL . 38.7 mtmt -65.47 -32.33 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 31' ' ' ILE . 10.5 mt -67.55 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -50.01 -25.61 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -78.54 -29.63 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.1 t80 -88.64 -26.29 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.5 ptt85 -68.74 -40.27 79.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.13 -21.27 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.6 mmm -76.83 -43.43 36.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 20.7 m-70 -90.7 -47.32 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.92 38.95 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 24' ' ' ARG . 18.3 m -103.4 174.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 111.12 20.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 20' ' ' LEU . 16.8 mt -99.12 128.03 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 m -131.31 134.16 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.0 103.79 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -86.48 139.21 31.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -97.43 126.19 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.92 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -69.13 -177.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 45' ' ' ARG . 10.0 m -103.52 116.76 32.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -108.65 118.5 36.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -172.42 34.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.37 2.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 14.9 p-80 -66.16 -48.33 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.01 115.36 29.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.2 mmt180 -102.89 124.29 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' THR . 20.5 mmt85 -104.17 123.67 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -88.68 119.16 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 m -93.74 146.0 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -144.1 165.58 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -155.32 157.09 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 52' ' ' LEU . 57.0 t -115.96 154.07 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 5.3 mp -131.35 115.41 16.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 6.2 mt -120.56 124.57 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t0 60.18 41.89 16.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.76 24.92 13.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 28.1 ttmt -104.92 134.8 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.44 112.14 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 26.8 m-85 -89.29 158.9 45.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -48.0 176.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.17 160.8 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -99.89 148.16 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.54 138.09 6.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -42.34 -57.09 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.4 p -114.68 157.88 22.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -40.64 -42.96 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -69.57 -48.82 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.44 -35.19 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.7 -52.24 58.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -51.26 -43.54 61.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -61.59 -56.38 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.9 -47.55 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.7 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.4 -30.19 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -54.43 -49.94 68.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.96 -34.59 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.99 -61.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.584 HG11 ' HE3' ' A' ' 19' ' ' LYS . 43.8 t -52.12 -35.16 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.52 -45.46 93.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.15 -54.66 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' ASN . 30.9 mt -46.17 -53.51 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 34.9 t70 -37.37 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.4 m120 -106.02 -29.53 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 50.04 26.94 2.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -114.67 47.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -86.51 106.65 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.98 137.88 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -77.68 143.94 37.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.7 m -89.68 -46.32 8.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -136.04 130.8 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 t -57.84 156.18 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -168.89 168.12 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.62 -160.46 18.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -24.2 29.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.7 p -44.08 -60.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.81 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -99.8 88.03 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.548 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -84.94 -47.84 9.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -70.99 124.5 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.09 -104.92 2.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -59.37 98.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -128.9 84.16 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 52.76 40.51 56.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 36.88 41.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 118.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -113.46 154.8 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -107.04 84.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 13' ' ' PRO . 95.5 m -114.98 138.96 23.7 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.79 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.4 67.47 1.61 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -67.96 -49.51 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 41.5 m-85 -60.59 -59.29 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' TYR . 87.8 mtp -37.57 -40.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.61 -42.99 85.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HE3' HG11 ' A' ' 78' ' ' VAL . 39.1 mtmt -58.21 -36.53 73.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 31' ' ' ILE . 10.9 mt -60.01 -62.44 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -50.71 -47.38 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -55.16 -22.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 33.9 t80 -94.93 -38.83 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HA ' HG22 ' A' ' 29' ' ' VAL . 17.8 ptt85 -63.65 -35.77 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.57 -16.52 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.1 ttp -88.89 -62.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' ND1' ' CE2' ' A' ' 23' ' ' TYR . 25.0 m80 -68.43 -45.62 72.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.71 49.68 0.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 24' ' ' ARG . 26.9 m -116.76 167.31 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.47 115.63 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.63 HD13 HD22 ' A' ' 20' ' ' LEU . 1.5 mt -102.85 127.19 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -128.6 132.12 48.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.1 m-85 -102.45 103.86 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -83.2 130.61 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -88.42 104.95 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 48' ' ' THR . 31.6 mt -78.01 -177.48 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -81.47 -179.3 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -108.84 117.64 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t -112.98 148.06 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.5 -176.25 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 53.4 Cg_endo -69.81 169.65 18.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -37.97 8.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 23.4 p80 -68.33 -52.59 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 t70 -109.15 115.18 29.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -102.28 128.54 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -106.31 119.43 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CG ' ' HD3' ' A' ' 66' ' ' LYS . 23.8 m-85 -89.41 114.51 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 HD12 ' A' ' 36' ' ' LEU . 6.3 m -89.38 142.94 27.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -142.65 164.88 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -157.0 151.78 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 33' ' ' TYR . 86.3 t -113.73 153.85 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.25 111.57 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.712 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.5 mt -113.39 127.1 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 t70 56.8 46.33 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.89 25.28 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -102.34 146.92 27.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.72 110.7 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.712 ' CE1' HD12 ' A' ' 53' ' ' ILE . 39.0 m-85 -90.55 157.9 43.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 109.83 2.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -50.26 -178.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.24 160.41 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -99.7 149.92 22.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -151.76 128.82 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -38.21 -58.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -102.18 149.1 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -42.88 -48.93 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.74 -50.04 59.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -46.56 -38.66 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.04 91.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -53.01 -44.96 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -59.3 -51.65 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.84 -56.97 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.14 -38.72 18.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.45 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -51.5 -50.78 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.69 -36.87 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.07 -60.52 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 ' HE3' ' A' ' 19' ' ' LYS . 97.6 t -50.21 -37.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.45 -43.92 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.8 mt -68.02 -60.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' ILE . 46.6 mt -34.64 -52.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -41.17 -49.03 3.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -82.73 -30.23 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 47.46 25.22 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -126.12 93.02 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -66.16 135.18 54.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -59.04 176.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.5 52.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 77.1 m -128.11 144.27 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -112.39 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.34 161.76 40.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.7 p -112.24 161.79 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.71 83.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -20.9 34.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.2 p -142.79 149.57 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.4 t -148.71 158.49 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -148.62 168.0 23.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -87.82 41.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.93 124.76 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -128.13 128.06 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -70.39 122.18 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.31 117.83 6.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpp -174.79 131.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.73 112.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.3 m -139.87 -177.38 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -95.7 32.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.4 m -41.93 136.69 2.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.79 -30.69 21.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.57 84.66 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.19 -63.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LYS . 36.1 m-85 -67.36 -50.41 59.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.3 mtp -45.42 -28.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.6 -31.7 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' TYR . 35.0 mtmt -71.87 -35.21 69.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 31' ' ' ILE . 8.8 mt -58.12 -56.37 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -51.4 -57.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.99 -21.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 21.5 t80 -93.97 -36.7 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.1 ptt85 -67.76 -36.72 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.97 -14.91 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.6 ttp -88.55 -55.74 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 38.2 m-70 -75.73 -36.75 59.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.85 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.6 m -113.49 165.24 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.74 113.05 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.643 HD13 HD22 ' A' ' 20' ' ' LEU . 2.7 mt -98.53 128.73 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -128.22 133.0 48.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -100.99 105.68 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -87.11 128.84 35.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -85.8 127.47 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 48' ' ' THR . 10.5 mt -107.73 163.38 13.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -63.15 176.45 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 46' ' ' ARG . 23.1 m -102.87 138.47 39.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.4 p -130.2 129.91 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.07 -173.25 26.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.445 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.75 169.71 18.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.95 2.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.445 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 6.0 p80 -62.98 -55.01 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HB3' HG21 ' A' ' 38' ' ' THR . 11.1 mmt180 -100.81 134.6 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' THR . 66.6 mmt-85 -113.27 117.95 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.38 127.01 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 36' ' ' LEU . 19.1 m -98.19 146.23 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.14 164.11 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -155.14 145.21 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 52' ' ' LEU . 91.5 t -104.41 154.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.24 110.83 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 20' ' ' LEU . 18.7 mt -114.34 137.26 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t0 49.62 42.02 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 61.23 34.57 18.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -112.56 140.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.55 107.14 19.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.7 m-85 -86.51 158.58 54.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.693 0.758 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.8 108.39 2.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -47.98 176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.81 157.16 38.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -95.78 147.5 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.75 140.34 8.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -45.26 -60.49 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.424 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 22.8 t -107.07 163.82 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -47.13 -58.4 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -59.15 -51.08 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -45.46 -40.15 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.29 86.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -52.64 -42.92 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -61.63 -53.39 56.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 -57.11 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.36 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.99 79.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -51.87 -47.01 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.3 mt -65.82 -40.79 92.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.39 -64.38 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' HE3' ' A' ' 19' ' ' LYS . 58.8 t -46.49 -37.11 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.43 -40.77 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mt -70.94 -45.03 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.31 -53.25 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.25 -45.94 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -51.71 -32.93 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.83 -26.58 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -116.6 84.27 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.04 146.08 26.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.8 153.16 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.08 -51.12 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.45 84.37 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 177.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.6 t -78.05 143.5 37.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 m -50.24 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.88 83.42 1.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 143.82 51.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 t -169.61 126.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.9 p -63.17 110.94 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -113.22 157.14 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -124.32 90.14 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.34 108.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -137.68 153.89 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -84.57 167.41 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.68 55.7 28.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -57.83 115.07 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.02 170.0 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -83.8 133.83 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.11 88.5 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 2.4 m -63.57 136.43 96.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.77 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.54 81.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -87.57 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.87 -48.02 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.1 mtp -49.66 -31.85 11.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.53 -31.07 53.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' HG11 ' A' ' 78' ' ' VAL . 32.5 mtmt -70.5 -32.05 69.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 31' ' ' ILE . 11.4 mt -67.19 -55.63 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -52.85 -54.66 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -50.55 -21.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.711 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 18.1 t80 -94.52 -36.59 11.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -67.06 -41.4 86.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -75.13 -20.33 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 ttp -86.44 -54.94 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.711 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 33.9 m80 -72.17 -40.98 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.91 45.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.5 m -115.93 158.09 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.5 110.87 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 20' ' ' LEU . 4.2 mt -99.3 130.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -130.5 129.55 43.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -92.32 103.75 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 21.8 tptt -74.58 136.64 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.25 100.93 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD12 HG22 ' A' ' 48' ' ' THR . 6.7 mt -83.81 162.28 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -67.0 -177.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -96.74 139.69 32.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -134.97 125.91 27.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.04 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.56 4.21 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 43' ' ' HIS . 8.4 p80 -67.26 -54.07 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.08 115.26 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.4 mmt85 -103.31 124.93 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 -103.71 121.04 42.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -86.05 124.14 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.654 HG22 HD12 ' A' ' 36' ' ' LEU . 17.7 m -94.27 142.08 27.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 20.2 m-85 -142.55 165.69 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -163.23 142.4 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 31' ' ' ILE . 70.9 t -95.73 154.48 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.2 mp -131.37 110.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.1 mt -113.8 138.47 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 45.48 45.28 10.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 60.93 29.0 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -105.32 135.88 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.54 110.27 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.755 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.2 m-85 -86.47 158.87 54.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 102.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -44.97 170.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.19 164.5 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -98.07 146.74 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.73 131.73 3.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.4 -52.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.8 p -122.7 161.11 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -42.52 -47.55 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' ' C ' ' A' ' 67' ' ' GLN . 1.7 tm0? -67.46 -52.61 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.8 -32.66 14.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -69.67 -43.92 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -54.61 -45.67 73.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -64.79 -51.98 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.31 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.08 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -56.02 -49.63 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 59' ' ' PRO . 19.2 mt -64.7 -36.59 84.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.45 -60.21 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG11 ' HE3' ' A' ' 19' ' ' LYS . 88.9 t -50.06 -36.25 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.13 -43.54 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.84 -50.65 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 78' ' ' VAL . 37.5 mt -45.75 -53.68 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.57 -51.4 6.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -68.78 -32.13 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -24.6 48.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.78 83.27 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -44.74 117.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.25 147.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.61 147.17 24.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 86.1 m -86.19 141.16 29.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 89' ' ' CYS . 12.3 m80 -172.0 131.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 p -109.78 139.08 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 m -69.77 -60.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.56 147.36 4.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -10.48 28.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t -41.24 125.89 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -77.04 171.29 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -141.3 123.78 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -49.42 -37.15 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.8 140.76 6.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -134.9 111.23 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -47.7 -54.02 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.18 -107.45 2.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 tpt 49.75 42.21 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.2 97.51 5.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 t -97.35 174.26 6.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.77 77.22 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 4.7 m -82.05 135.48 48.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 111.162 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 54.0 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.09 68.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -87.07 -69.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -48.0 -50.13 28.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.7 mtp -48.51 -35.19 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.35 -31.49 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HE3' HG11 ' A' ' 78' ' ' VAL . 40.9 mtmt -70.3 -30.36 67.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 17.9 mt -69.52 -58.17 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -52.02 -31.07 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -75.06 -23.45 58.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.491 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 5.3 t80 -94.84 -27.18 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HA ' HG22 ' A' ' 29' ' ' VAL . 26.6 ptt85 -68.53 -36.33 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.96 -38.73 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -62.27 -61.44 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 35.7 m80 -69.62 -40.06 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.89 45.35 2.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.0 m -106.71 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.19 111.43 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 9.2 mt -99.05 129.43 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -130.9 130.81 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CD2' HG22 ' A' ' 51' ' ' VAL . 12.3 m-85 -100.75 104.1 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -85.3 135.04 34.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 48' ' ' THR . 15.6 mt -92.63 177.83 5.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -71.35 -176.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.59 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -129.76 151.23 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.64 -174.01 18.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 43' ' ' HIS . 7.1 p80 -60.28 -55.43 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.98 115.19 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -101.07 130.87 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -107.85 119.43 39.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.454 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 14.7 m-85 -89.34 123.82 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 36' ' ' LEU . 12.1 m -93.08 140.92 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.0 161.33 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.25 152.53 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 31' ' ' ILE . 96.6 t -112.93 152.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.5 mp -131.16 111.84 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.537 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 10.5 mt -113.58 123.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.79 43.01 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.86 29.52 14.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -104.61 148.55 26.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.93 105.95 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 43.9 m-85 -86.91 157.84 54.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.692 0.758 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.83 105.78 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 174.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.83 158.06 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -97.6 148.39 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.09 159.35 28.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -64.55 -51.32 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -117.84 156.93 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HE3' ' CD1' ' A' ' 47' ' ' PHE . 27.1 mmtp -40.18 -49.79 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.45 -53.84 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -43.96 -38.81 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.48 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -46.35 -46.56 18.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.08 -49.69 74.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.47 -47.21 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.43 86.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 19.8 tttm -50.15 -51.16 45.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -63.41 -38.18 90.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.62 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.5 t -49.39 -46.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -36.49 66.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.91 -56.06 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.2 mt -42.43 -53.34 4.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' LEU . 7.0 t70 -36.42 -38.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -98.25 -29.27 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.95 42.47 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -75.44 66.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -57.5 143.95 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 87' ' ' VAL . 26.8 m -36.44 121.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.16 145.08 54.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 26.7 p -124.88 175.14 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.82 108.79 21.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -97.83 112.95 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 t -82.25 114.72 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.18 163.21 21.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.4 Cg_endo -69.74 2.34 3.62 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.344 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' PRO . 20.4 m -37.14 117.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -85.37 -53.02 5.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -127.72 165.7 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.364 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -114.64 158.58 21.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.37 -152.1 17.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -78.0 126.2 30.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.73 124.58 5.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpp -173.27 151.6 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.81 142.0 28.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -127.5 156.72 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -121.31 85.67 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 7.0 m -98.11 136.51 20.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.77 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.86 69.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.98 -54.12 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.42 -41.43 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 74.8 mtp -52.95 -27.85 20.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.06 -37.49 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -68.65 -26.98 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 31' ' ' ILE . 12.5 mt -65.83 -60.29 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.35 -44.99 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.59 -22.48 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 21.9 t80 -94.98 -32.05 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.556 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.2 ptt85 -71.68 -29.04 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -84.16 -29.69 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -77.19 -57.77 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.556 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.1 m-70 -71.33 -31.81 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.35 48.09 3.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.7 m -113.41 171.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.33 117.05 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -103.69 125.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -127.33 129.77 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 51' ' ' VAL . 6.4 m-85 -99.45 106.81 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -87.34 143.64 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -99.95 119.66 38.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 48' ' ' THR . 7.7 mt -97.0 -178.31 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -76.22 178.06 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 46' ' ' ARG . 30.4 m -104.95 125.58 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -120.06 146.03 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.7 -171.45 22.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.592 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.72 168.6 21.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.82 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.6 p-80 -61.43 -51.97 66.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.36 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.1 mmt180 -102.13 122.45 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 38' ' ' THR . 21.0 mmt85 -102.56 123.57 46.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -89.79 126.31 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.537 HG22 HD12 ' A' ' 36' ' ' LEU . 88.6 m -97.96 144.83 27.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -142.52 168.24 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.7 pt20 -155.74 156.38 34.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 31' ' ' ILE . 75.7 t -117.06 153.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.2 112.18 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.1 mt -114.3 118.28 58.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 65.03 45.97 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 60.96 24.99 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 36.6 tttp -102.0 142.67 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -100.1 108.55 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 53' ' ' ILE . 35.3 m-85 -88.31 158.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.657 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.73 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.61 -179.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.6 158.52 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -96.5 143.33 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.92 131.48 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 55.9 mtp180 -35.42 -60.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -110.13 171.92 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.76 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -71.24 -46.68 60.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.76 -35.87 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.28 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -49.92 -44.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -64.43 -43.87 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -54.86 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.63 -32.43 18.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -75.08 -26.19 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -60.74 -45.5 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.2 mt -66.48 -38.15 86.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.25 -62.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 74' ' ' ALA . 99.1 t -45.64 -36.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.79 -47.65 82.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.81 -50.43 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -46.48 -52.7 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -45.88 -48.83 15.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.4 -32.25 69.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.94 -23.13 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -60.86 -48.06 83.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -85.41 120.05 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.0 148.86 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -146.58 153.5 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 28.7 p -96.57 40.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -80.79 -44.37 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -71.45 115.2 10.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -76.28 132.61 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.74 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -29.89 23.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 t -100.31 109.27 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.9 p -42.64 109.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -128.11 104.19 7.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -112.63 92.78 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.72 48.86 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -55.96 154.97 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -57.34 153.96 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.79 -92.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -122.68 -33.5 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.77 122.34 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -63.34 165.53 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -174.5 112.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.489 HG23 ' HD2' ' A' ' 13' ' ' PRO . 92.6 m -87.43 134.23 36.63 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.598 0.714 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.4 Cg_endo -69.76 81.62 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 63.02 1.98 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.85 -51.12 68.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 40.7 m-85 -64.21 -52.69 57.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.5 mtp -40.33 -47.88 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.651 ' HE3' HG11 ' A' ' 78' ' ' VAL . 37.0 mtmt -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 31' ' ' ILE . 11.8 mt -55.23 -59.3 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -52.9 -33.47 50.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -70.5 -23.17 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.699 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 13.0 t80 -94.88 -33.46 12.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.4 ptt180 -63.3 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -87.69 -40.57 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.4 ttm -61.5 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 37.9 m80 -78.22 -47.22 18.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 47.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.8 m -114.25 167.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.79 110.42 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 HD22 ' A' ' 20' ' ' LEU . 31.2 mt -92.32 135.23 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.2 m -133.2 128.91 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD2' HG22 ' A' ' 51' ' ' VAL . 34.2 m-85 -103.02 103.82 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -85.35 123.37 30.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.8 118.32 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.78 HD12 HG22 ' A' ' 48' ' ' THR . 58.8 mt -92.56 168.27 11.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.8 m -73.35 167.41 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 m -93.85 145.66 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.4 m -140.81 135.24 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -170.04 24.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.74 169.86 17.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.88 2.97 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.6 p-80 -66.96 -52.0 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 15.0 t0 -109.11 115.24 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.4 mmt180 -110.54 127.92 55.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -101.3 115.79 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.1 120.32 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD12 ' A' ' 36' ' ' LEU . 5.4 m -95.52 144.7 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -145.44 168.85 19.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.548 ' OE1' HD21 ' A' ' 36' ' ' LEU . 8.4 pt20 -158.12 147.76 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 33' ' ' TYR . 47.2 t -109.33 154.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.31 113.13 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.5 mt -114.13 124.78 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t0 59.88 43.66 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 61.52 34.66 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 21.7 ttmt -110.59 149.3 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -104.55 108.57 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' A' ' 53' ' ' ILE . 42.2 m-85 -89.13 158.26 46.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.693 0.758 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 108.53 2.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.494 ' CD ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -48.74 178.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.42 158.42 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -95.12 145.33 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.1 130.8 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLY . 19.4 ttp180 -34.63 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.833 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -111.75 171.57 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -51.84 -39.73 59.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -42.83 -38.55 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.18 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -52.82 -44.7 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -66.1 -49.0 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.93 -37.42 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.75 85.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 81.3 tttt -49.26 -48.27 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.29 -34.99 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.28 -63.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.651 HG11 ' HE3' ' A' ' 19' ' ' LYS . 63.3 t -46.68 -41.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -52.83 -49.22 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.44 HG21 ' HG3' ' A' ' 86' ' ' LYS . 24.3 mt -63.3 -48.08 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 53' ' ' ILE . 21.9 mt -57.29 -43.91 83.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -42.4 -33.55 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -106.48 -28.13 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 51.29 33.93 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -100.41 45.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' HG3' HG21 ' A' ' 80' ' ' ILE . 23.9 mmtm -114.96 137.92 51.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.82 143.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.18 154.4 31.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 26.7 p -68.73 121.85 17.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -74.33 -40.44 62.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.881 HG22 ' H ' ' A' ' 93' ' ' GLY . 31.9 m -113.74 143.36 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 p -79.23 0.19 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.881 ' H ' HG22 ' A' ' 91' ' ' THR . . . 77.85 -176.35 53.89 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 172.1 13.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.0 p -43.86 159.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.5 p -73.8 148.24 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 p -97.35 169.2 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -130.17 128.8 42.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.51 -69.45 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -165.53 160.85 18.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.806 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -117.5 174.25 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.32 -49.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.9 mtt -127.62 44.53 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.36 153.46 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.9 p -145.04 165.96 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -163.16 108.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -140.12 137.18 17.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 111.141 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 12' ' ' THR . 53.4 Cg_endo -69.82 -10.16 27.85 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.22 . . . . 0.0 112.341 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 77.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -81.17 -58.49 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.07 -48.2 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.2 mtp -47.57 -34.76 8.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.2 -34.58 70.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.9 mtmt -70.12 -36.71 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.01 -55.55 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -56.1 -37.36 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.81 -22.68 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.5 t80 -95.08 -28.39 15.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.622 ' HA ' HG22 ' A' ' 29' ' ' VAL . 18.0 ptt85 -70.2 -30.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' MET . 11.6 pt20 -88.09 -35.89 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 8.6 mtm -66.48 -47.52 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.0 m-70 -81.5 -47.56 12.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 52.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.3 m -120.22 176.94 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.69 111.83 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG23 ' CG1' ' A' ' 51' ' ' VAL . 22.0 mt -97.67 136.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -134.36 128.61 34.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 51' ' ' VAL . 35.6 m-85 -98.99 107.38 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -88.81 123.77 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.4 tt0 -83.9 119.93 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 48' ' ' THR . 9.9 mt -97.93 167.35 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -65.45 175.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 45' ' ' ARG . 41.0 m -100.76 137.22 39.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -132.58 133.28 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.05 -173.26 23.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 170.01 17.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -58.66 -53.67 55.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.13 115.14 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 38' ' ' THR . 11.4 mmt180 -99.68 123.99 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 mmt-85 -107.2 112.98 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -87.62 129.04 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.926 HG22 HD12 ' A' ' 36' ' ' LEU . 10.2 m -96.99 137.92 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 35' ' ' GLU . 12.7 m-85 -138.72 163.58 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.04 149.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 33' ' ' TYR . 78.6 t -107.59 154.36 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.26 111.15 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 17.2 mt -114.07 134.49 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 50.85 45.19 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.26 26.48 16.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -103.84 147.31 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.8 112.32 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -90.6 157.88 43.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 109.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' HG22 ' A' ' 48' ' ' THR . 2.4 pm0 -49.49 169.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.73 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -95.69 146.38 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.87 141.35 9.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -45.97 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 m -110.05 177.99 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -56.52 -55.43 33.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 mp0 -59.19 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -38.71 -35.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.91 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' GLN . 35.6 mtt180 -59.22 -46.06 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -58.0 10.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -44.86 -61.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.84 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.61 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ALA . 43.9 tttp -50.98 -49.54 60.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.8 mt -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.68 -63.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.2 t -48.52 -39.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.89 -42.95 94.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -67.96 -46.31 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.8 mt -55.17 -43.68 74.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.18 -49.49 27.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -56.86 -36.59 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -89.48 -26.12 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 86' ' ' LYS . 4.8 t30 -44.97 -51.28 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASN . 22.8 tptm -37.52 127.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.8 t -41.75 105.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.8 176.33 9.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.6 p -59.78 128.54 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -69.13 -44.73 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.6 t -37.72 149.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -134.78 174.5 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.0 175.71 47.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -45.61 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.3 m -69.47 130.06 41.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 p -76.68 146.98 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -108.48 129.72 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -106.76 154.33 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.45 99.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 m -158.42 172.39 18.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -118.13 -45.32 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.6 167.07 12.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.23 176.46 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.32 41.96 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -128.37 141.63 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t0 60.59 32.71 20.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -40.06 137.31 1.22 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 111.174 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HD2' HG22 ' A' ' 12' ' ' THR . 54.1 Cg_endo -69.71 -23.56 30.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.404 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.08 70.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.4 ' HB2' HG21 ' A' ' 12' ' ' THR . 18.0 t80 -74.67 -56.18 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -55.74 -45.5 78.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.488 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 29.2 mmm -49.18 -47.39 46.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -30.01 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -75.64 -36.48 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 31' ' ' ILE . 11.5 mt -62.29 -59.0 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -54.23 -28.88 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -74.69 -24.5 58.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 33.2 t80 -94.8 -20.59 19.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' HG22 ' A' ' 29' ' ' VAL . 22.7 ptt85 -79.54 -33.99 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -82.28 -32.89 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.6 mtm -72.47 -58.42 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 19.0 m-70 -69.73 -49.19 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.13 45.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.1 m -112.58 157.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.603 HG23 ' CG1' ' A' ' 51' ' ' VAL . 8.2 mt -95.64 130.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -133.34 130.67 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CD2' HG22 ' A' ' 51' ' ' VAL . 50.2 m-85 -101.57 106.94 18.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -86.94 123.53 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.92 109.02 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 48' ' ' THR . 12.6 mt -86.48 -179.89 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -75.18 -176.85 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.926 HG23 ' O ' ' A' ' 46' ' ' ARG . 44.0 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -132.63 123.35 26.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.85 32.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.43 3.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -68.15 -47.41 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -109.05 115.21 29.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.0 mmt180 -105.69 119.93 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 38' ' ' THR . 50.1 mmt-85 -92.49 115.06 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.28 120.61 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 36' ' ' LEU . 25.2 m -95.41 144.55 25.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 25.9 m-85 -143.22 166.95 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.0 pt20 -157.56 151.68 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.707 HG22 ' CD2' ' A' ' 33' ' ' TYR . 89.4 t -110.11 154.57 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.08 110.97 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.7 mt -113.58 124.96 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 56.99 46.88 18.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 59.31 29.43 18.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 12.4 ttmm -107.09 130.83 54.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -89.55 106.36 18.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.0 m-85 -85.79 158.72 56.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 105.67 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.3 pm0 -47.69 175.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.92 160.48 43.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -95.86 152.39 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.31 152.66 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.15 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -119.0 160.06 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -40.22 -56.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.2 -53.7 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -46.98 -38.87 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.04 -48.66 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -52.65 -48.39 66.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.8 -37.16 73.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.28 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -52.18 -31.49 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.77 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 43.3 tttm -49.25 -42.62 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 59' ' ' PRO . 16.9 mt -70.01 -37.3 75.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.16 -61.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -48.04 -45.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.34 -31.61 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.99 -55.08 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' ASP . 48.5 mt -42.24 -49.81 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -37.18 -46.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -89.63 -31.76 17.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.49 26.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.14 -47.09 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -40.21 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 88' ' ' ASP . 1.5 p -130.96 140.73 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.8 p-10 -68.66 155.41 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.1 p -80.68 168.1 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -88.92 159.3 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -90.26 -59.67 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -84.49 133.96 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.93 172.27 46.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -176.02 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.4 m -70.76 175.8 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 p -61.31 123.58 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -121.23 102.43 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -170.55 117.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.47 -148.76 16.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t 55.7 46.05 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -69.88 153.51 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.26 -85.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt 41.87 46.72 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.88 78.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -166.9 167.64 14.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -67.79 -40.59 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 13' ' ' PRO . 25.2 m -160.21 137.1 6.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.76 -45.8 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.29 86.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.94 -49.47 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.76 -50.69 65.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.523 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 92.0 mtp -45.7 -40.88 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.8 -39.69 79.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' HG11 ' A' ' 78' ' ' VAL . 24.2 mtmt -61.89 -32.18 72.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 31' ' ' ILE . 8.5 mt -68.19 -58.35 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 17' ' ' MET . 20.1 m-80 -52.48 -30.33 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -74.09 -23.47 59.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t80 -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.1 ptt180 -67.71 -30.3 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -88.24 -30.51 19.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.86 -45.37 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 m-70 -86.94 -36.95 18.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.51 44.1 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.2 m -110.18 164.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.33 110.71 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.528 HD13 HD22 ' A' ' 20' ' ' LEU . 10.7 mt -95.41 130.63 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.4 m -130.35 134.76 47.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.595 ' CD2' HG22 ' A' ' 51' ' ' VAL . 63.0 m-85 -104.44 104.29 14.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -85.32 119.66 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.82 116.43 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.933 HD12 HG22 ' A' ' 48' ' ' THR . 11.2 mt -95.15 171.33 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 p -65.37 173.83 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 m -111.2 135.5 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -132.68 158.33 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.53 -170.88 17.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.1 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 49.7 p-80 -58.46 -51.88 67.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 1.2 m-20 -108.63 115.17 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -100.75 118.6 37.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -97.4 113.75 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -89.69 131.03 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.933 HG22 HD12 ' A' ' 36' ' ' LEU . 15.2 m -99.01 137.47 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -135.63 166.24 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -157.23 139.77 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 33' ' ' TYR . 93.4 t -102.12 154.59 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.18 114.01 14.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.4 mt -115.21 133.95 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 t70 52.35 39.48 27.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.61 34.3 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 23.6 tttm -111.56 142.97 43.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -97.97 107.76 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -87.29 158.4 52.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.77 106.0 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -47.4 172.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.02 41.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -94.83 146.17 24.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -42.69 -56.76 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -110.88 178.31 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -58.27 -56.49 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.31 -55.11 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -42.86 -35.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -58.48 -43.56 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.81 -49.08 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -55.46 -63.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.53 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' ALA . 45.2 tttp -50.91 -50.5 57.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.6 mt -64.94 -36.51 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.39 -61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.0 t -50.78 -47.08 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.11 -45.97 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.5 -59.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 78' ' ' VAL . 27.8 mt -37.75 -54.97 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -38.66 -42.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -89.02 -32.13 17.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 47.21 25.46 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -77.33 48.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -52.24 134.8 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.82 142.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 88' ' ' ASP . 39.7 t0 -72.39 100.79 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.45 174.17 11.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -62.16 84.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.2 m -95.07 128.09 41.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -44.89 162.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.7 146.17 0.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.6 68.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.8 p -101.25 135.42 42.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -107.81 101.16 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -46.48 173.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -156.43 147.5 22.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.24 -136.99 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 58.34 43.7 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -103.45 161.49 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.82 54.8 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mtt -70.83 175.16 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.27 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -114.02 166.03 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.23 34.52 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.462 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 11.5 m -64.4 136.66 96.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.9 Cg_endo -69.75 -45.61 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.243 . . . . 0.0 112.386 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.72 82.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -83.36 -64.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -64.77 -49.51 70.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.2 mtp -46.09 -40.77 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.61 -33.86 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.52 -37.95 77.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.93 -53.11 61.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.11 -56.64 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -47.86 -20.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 56.5 t80 -94.88 -37.24 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.657 ' HA ' HG22 ' A' ' 29' ' ' VAL . 15.7 ptt180 -66.65 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.68 -20.87 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 ttm -82.6 -53.38 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 26.6 m80 -77.53 -36.62 52.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.36 45.34 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.7 m -108.56 179.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.06 110.94 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 5.1 mt -96.52 129.49 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 m -130.54 128.9 42.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.536 ' CD2' HG22 ' A' ' 51' ' ' VAL . 14.6 m-85 -101.21 104.04 15.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -81.05 133.7 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.78 107.03 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD12 HG22 ' A' ' 48' ' ' THR . 18.7 mt -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 t -83.5 172.99 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 m -91.01 147.72 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.3 p -142.63 148.24 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.42 -169.77 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 169.36 19.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.377 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.53 3.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -66.82 -50.04 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -107.96 115.18 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -103.24 124.89 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -104.96 126.09 51.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -93.28 129.87 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.66 HG22 HD12 ' A' ' 36' ' ' LEU . 16.9 m -102.45 147.3 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.83 157.0 43.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -145.29 155.09 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.7 t -116.31 152.8 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 114.12 14.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.5 mt -117.68 122.24 69.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 61.55 46.69 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 59.8 27.05 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -105.05 140.7 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -99.06 109.6 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.735 ' CE1' HD12 ' A' ' 53' ' ' ILE . 40.5 m-85 -88.14 158.07 50.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.26 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.91 156.12 36.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -94.62 153.79 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.38 141.76 8.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -51.14 -58.92 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -106.23 154.23 21.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -42.73 -47.03 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.32 -44.49 75.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -55.47 -34.63 64.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.6 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -56.02 -47.79 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.35 -41.06 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.81 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -52.7 -48.41 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.8 mt -64.33 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.6 -58.6 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.25 -42.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.8 -36.08 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -76.76 -56.01 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' ASP . 44.4 mt -39.86 -55.07 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' LEU . 9.1 t70 -37.35 -43.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -88.77 -33.15 17.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 47.08 25.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' LYS . 7.7 t30 -90.61 -60.04 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 85' ' ' ASN . 18.6 tttm -34.46 114.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.43 148.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.58 125.2 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.69 120.91 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -136.44 107.42 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.1 m -114.13 83.74 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -158.26 120.2 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.62 82.16 0.35 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 179.75 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.5 m -41.53 149.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.9 p -103.6 -44.3 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -88.01 43.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -59.03 -54.07 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.86 121.94 0.72 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -123.92 -61.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -50.84 169.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.46 46.79 2.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.2 ttp -48.69 118.71 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.34 106.22 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t 53.83 29.76 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 55.43 37.92 29.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.632 HG23 ' HD2' ' A' ' 13' ' ' PRO . 92.8 m -145.84 138.46 13.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.632 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.75 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.06 71.08 0.45 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -66.58 -49.89 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.88 -42.73 99.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.8 mtp -58.15 -28.72 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.39 -31.91 48.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.4 mtmt -68.79 -32.89 72.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.52 -62.46 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -52.05 -27.78 14.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.94 -23.97 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 22.2 t80 -94.83 -23.04 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -72.0 -31.2 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 1.3 ptp -56.9 -44.7 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 29.9 m80 -84.22 -45.73 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.32 35.0 3.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.1 m -97.5 -177.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 110.81 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 4.4 mt -97.22 128.37 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 m -128.79 132.46 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -105.21 103.79 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.89 153.23 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -107.09 107.08 17.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.9 mt -88.45 165.95 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -58.9 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.9 m -119.26 128.38 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.8 m -119.11 160.72 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -174.38 16.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.446 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.29 19.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 41' ' ' PRO . 22.0 p80 -58.81 -52.19 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -109.11 115.25 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -101.06 127.96 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mmt85 -108.27 121.93 45.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -88.35 135.22 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 36' ' ' LEU . 21.0 m -105.79 131.15 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -132.56 163.85 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -152.2 162.37 41.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 31' ' ' ILE . 97.8 t -120.47 152.65 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.15 117.07 18.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 58' ' ' PHE . 14.7 mt -119.73 128.42 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.06 41.99 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.89 27.74 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -104.69 144.08 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.91 112.44 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.3 m-85 -90.78 157.84 43.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.68 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.76 104.79 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.1 pm0 -48.65 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -155.25 158.65 39.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.93 152.86 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.86 137.7 6.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -39.86 -55.87 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 p -117.75 163.22 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.8 -47.57 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.73 -43.82 79.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.24 -33.9 68.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.93 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -50.66 -46.41 58.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.78 -48.97 79.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -56.85 -59.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -44.1 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.7 tttt -49.96 -46.6 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.2 mt -67.5 -39.56 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.0 -63.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 19' ' ' LYS . 16.2 t -46.08 -43.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.87 -35.47 68.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.0 mt -74.28 -52.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 83' ' ' ASN . 32.2 mt -45.32 -55.56 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.4 -28.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.8 m-20 -102.73 -31.25 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 50.13 26.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 83' ' ' ASN . 6.5 m120 -122.5 93.39 3.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -69.82 146.88 51.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.1 m -36.1 133.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.68 164.19 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.12 161.6 15.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.29 172.95 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.9 p -124.04 158.47 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 t -91.2 -47.81 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.68 -160.09 44.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 175.05 8.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -38.31 -58.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -132.28 167.08 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 125.43 45.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -123.9 103.4 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.34 -142.19 10.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m 59.05 44.19 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -156.73 155.26 31.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 46.8 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.69 132.69 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.97 150.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -147.49 173.71 12.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -114.9 80.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -63.34 137.19 97.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.152 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HD2' HG22 ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.79 -26.05 27.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.62 82.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' H ' ' ND2' ' A' ' 71' ' ' ASN . 33.5 t80 -90.61 -69.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 24.6 m-85 -54.08 -47.07 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.524 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 38.2 mmm -44.56 -45.85 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -30.33 70.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -76.19 -35.07 59.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 13.4 mt -64.29 -56.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.38 -53.73 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -49.94 -21.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.722 ' CE2' ' CE1' ' A' ' 27' ' ' HIS . 7.5 t80 -94.8 -38.83 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -63.87 -42.94 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 7.1 pt20 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.529 ' CE ' ' CE1' ' A' ' 27' ' ' HIS . 43.4 ttp -75.9 -64.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.722 ' CE1' ' CE2' ' A' ' 23' ' ' TYR . 58.2 m80 -62.87 -38.53 91.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.94 42.85 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.0 m -108.39 163.72 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.2 113.63 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 8.7 mt -100.71 127.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -128.42 130.01 46.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.602 ' CD2' HG22 ' A' ' 51' ' ' VAL . 67.8 m-85 -99.33 103.93 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -83.4 117.09 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.32 124.93 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 48' ' ' THR . 27.7 mt -100.76 168.62 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -70.38 175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.468 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -94.05 150.87 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -145.26 135.82 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.46 -171.23 23.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.624 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.76 169.61 18.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -32.71 17.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.624 ' CD2' ' HB2' ' A' ' 41' ' ' PRO . 22.8 p80 -75.75 -53.65 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -108.88 115.18 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HB3' HG21 ' A' ' 38' ' ' THR . 21.0 mmt180 -104.4 132.39 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -108.98 117.85 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.77 121.95 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.601 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.56 148.48 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -147.16 165.6 29.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 8.8 pt20 -154.8 151.39 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 33' ' ' TYR . 61.4 t -110.09 152.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 110.65 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.9 mt -116.41 131.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' CD ' ' A' ' 55' ' ' GLU . 3.7 t70 54.14 47.79 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 3.4 mp0 56.65 34.51 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -112.5 139.57 47.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.77 108.37 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.9 m-85 -87.55 158.17 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 107.59 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -49.53 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.21 159.69 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -97.55 145.18 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.07 140.94 9.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -49.99 -53.73 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -109.22 163.05 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -50.19 -61.15 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.11 -44.38 91.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.03 -37.08 52.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.75 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -59.13 -43.06 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 15' ' ' PHE . 54.5 t-20 -63.68 -37.55 87.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.03 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.46 -33.59 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -69.54 -37.28 77.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 55.2 tttm -49.56 -51.09 39.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.67 -61.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 81' ' ' LEU . 73.5 t -48.28 -39.13 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.45 -36.04 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.7 -51.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 78' ' ' VAL . 38.4 mt -43.91 -57.49 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t70 -35.93 -34.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 6.6 t-20 -99.76 -28.99 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' LEU . 14.7 mt-10 53.92 38.14 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -91.56 79.6 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -40.73 112.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.39 151.85 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -47.56 120.81 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.07 155.06 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 71.86 47.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 p -54.33 -15.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.0 p -172.08 159.96 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.53 130.78 10.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 161.66 45.06 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.7 p -73.44 159.44 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.6 t -93.54 140.26 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -122.78 159.13 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -78.69 158.8 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.54 47.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -56.23 126.72 27.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 103.7 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 55.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -131.4 147.43 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.57 -178.85 3.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.5 t -99.32 -26.85 14.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -120.9 -60.44 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.524 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -148.21 137.35 11.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 111.16 -179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' HG22 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.76 -0.16 6.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.58 72.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -71.73 -68.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 19.1 m-85 -54.74 -47.78 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.5 mtp -46.06 -42.17 13.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -32.85 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -71.63 -31.61 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.3 -57.31 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -49.48 -48.89 47.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.35 -21.09 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -94.97 -29.65 14.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.8 ' HA ' HG22 ' A' ' 29' ' ' VAL . 23.2 ptt85 -75.53 -30.59 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -88.97 -18.13 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 ttm -87.38 -51.35 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -80.82 -29.94 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.7 47.05 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 24' ' ' ARG . 23.6 m -112.57 166.81 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 110.78 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.458 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.0 mt -98.36 133.66 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.7 m -131.63 137.51 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.533 ' CD2' HG22 ' A' ' 51' ' ' VAL . 58.6 m-85 -105.92 103.82 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -85.53 127.46 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -83.02 129.39 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 48' ' ' THR . 29.8 mt -106.35 169.17 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -62.1 -176.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -118.23 132.09 56.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 p -125.15 163.16 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.74 -172.72 14.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 169.98 17.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.98 2.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 25.0 p80 -64.87 -49.24 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 46' ' ' ARG . 11.0 t70 -109.04 115.21 29.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -102.33 123.75 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 47.4 mmt-85 -102.93 114.74 29.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 16.7 m-85 -88.96 125.99 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.684 HG22 HD12 ' A' ' 36' ' ' LEU . 13.8 m -96.67 146.28 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 66' ' ' LYS . 16.2 m-85 -143.94 168.28 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -156.65 148.93 23.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.9 t -108.23 154.49 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.4 110.73 11.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.9 mt -113.48 130.83 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 54.99 39.24 31.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 64.16 32.58 12.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -110.98 135.02 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -90.01 108.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 77' ' ' ALA . 30.6 m-85 -87.83 158.95 49.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.79 106.03 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -48.36 175.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' THR . . . -154.25 160.7 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -99.03 156.73 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -163.83 137.7 4.9 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLY . 34.3 ttt180 -36.79 -60.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -119.86 158.14 27.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -39.21 -51.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -32.98 70.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.87 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.54 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.1 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -38.69 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.93 -29.67 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 56.5 tttm -56.47 -48.78 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.5 mt -64.38 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -68.77 -62.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 74' ' ' ALA . 45.4 t -47.89 -41.27 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.61 -45.25 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LEU . 71.8 mt -65.15 -57.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ASP . 52.9 mt -37.99 -55.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 18.1 t70 -36.05 -45.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -89.17 -28.93 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' LEU . 6.1 mt-10 54.09 35.94 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 48.71 51.03 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -76.58 -175.69 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.8 6.31 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.19 -39.45 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 21.2 t -102.61 122.2 43.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 91' ' ' THR . 32.6 t60 -109.96 112.67 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 90' ' ' HIS . 36.3 p -159.94 147.41 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -54.51 132.1 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.8 -175.07 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 107.18 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -123.43 164.41 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.8 m -99.48 154.3 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 t80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -60.57 -50.75 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.0 mtp -47.2 -29.05 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.68 -33.94 53.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -69.23 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 31' ' ' ILE . 13.1 mt -60.8 -62.02 2.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -49.08 -49.11 43.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -53.47 -21.55 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t80 -94.89 -40.95 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 29' ' ' VAL . 12.5 ptt85 -60.14 -28.11 67.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -81.31 -52.27 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 mtm -56.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 27.9 m-70 -71.01 -49.92 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.55 41.87 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 24' ' ' ARG . 28.6 m -104.66 171.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.06 112.87 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 3.3 mt -101.81 127.13 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -129.64 134.94 47.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD2' HG22 ' A' ' 51' ' ' VAL . 13.2 m-85 -104.79 103.86 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -81.89 128.45 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -86.68 101.54 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 48' ' ' THR . 11.9 mt -79.77 168.21 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -69.71 -176.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 m -101.95 141.64 34.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 m -135.76 132.47 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.07 -173.44 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 Cg_endo -69.79 169.85 18.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -35.84 11.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.2 p-80 -72.32 -52.48 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.442 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 3.8 t70 -108.88 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -101.96 132.3 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -115.28 118.16 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -87.32 125.25 34.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.767 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.64 145.94 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.0 158.95 43.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 36' ' ' LEU . 7.9 pt20 -151.58 156.33 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 31' ' ' ILE . 93.7 t -114.5 154.56 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 113.24 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 58' ' ' PHE . 17.0 mt -115.69 126.28 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 58.32 45.16 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 61.04 29.29 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -106.64 146.26 30.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -102.99 112.24 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 39.5 m-85 -91.2 157.75 42.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.76 103.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' CD ' HD13 ' A' ' 36' ' ' LEU . 9.0 pt-20 -46.43 173.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.65 156.28 41.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -94.96 151.03 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.26 141.82 7.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -43.67 -59.49 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 t -118.94 164.22 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.66 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.38 -59.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -49.58 -35.26 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.45 -56.65 6.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -51.96 -47.72 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -57.4 -45.32 84.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.35 21.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.92 -38.31 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -66.88 -35.34 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.74 -47.53 67.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.01 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 74' ' ' ALA . 30.2 t -51.16 -36.25 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mt -78.43 -54.49 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 82' ' ' ASP . 23.7 mt -41.61 -58.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t0 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 42.3 m-85 -66.31 -57.38 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.0 mtp -40.7 -33.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.66 -37.42 62.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' TYR . 40.6 mtmt -65.98 -40.52 91.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.24 -61.35 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.38 -46.27 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -57.79 -22.49 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.4 t80 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.559 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.6 ptt85 -65.56 -41.38 93.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.4 -19.27 53.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.3 mmm -80.99 -48.61 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.454 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.9 m-70 -84.19 -48.72 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.16 46.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 24' ' ' ARG . 14.6 m -110.39 176.49 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.39 112.21 20.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 24' ' ' ARG . 3.1 mt -99.18 127.31 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -129.85 133.04 46.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CD2' HG22 ' A' ' 51' ' ' VAL . 43.6 m-85 -101.73 108.04 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -89.29 122.19 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 3.6 tm-20 -81.69 108.12 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 48' ' ' THR . 26.9 mt -84.17 174.59 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.4 m -72.4 -175.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.19 148.89 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -144.91 142.56 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.45 -171.58 21.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.559 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.5 Cg_endo -69.8 169.83 18.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 10.0 p-80 -63.11 -52.23 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.06 115.19 29.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.69 118.29 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -97.4 120.41 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 22.5 m-85 -88.5 126.52 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 36' ' ' LEU . 17.5 m -95.49 150.04 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -149.35 168.26 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.22 148.75 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 31' ' ' ILE . 47.1 t -109.63 153.37 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.03 111.3 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.6 mt -114.76 134.47 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.22 44.47 28.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.05 27.8 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 25.4 ttmt -105.1 142.76 34.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -99.81 110.1 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.1 m-85 -89.0 158.08 47.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.74 108.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.91 177.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.82 162.22 38.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -97.65 153.37 18.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 128.9 2.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -38.9 -63.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.4 t -103.16 146.69 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' SER . 26.5 mmtp -36.17 -53.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.78 -59.45 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -41.04 -38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.48 86.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -53.74 -43.16 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.17 -41.22 96.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -63.11 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.79 -41.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 35.6 tttm -49.59 -50.09 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 59' ' ' PRO . 21.8 mt -64.55 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.71 -64.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.9 t -45.0 -39.48 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.35 -48.22 81.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.06 -54.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' A' ' 58' ' ' PHE . 28.3 mt -45.27 -51.63 10.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 16.3 t80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -75.46 -51.04 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 73.5 mtp -47.24 -36.95 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -38.2 89.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 15' ' ' PHE . 25.4 mttt -63.83 -47.88 79.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 HD13 ' A' ' 31' ' ' ILE . 11.1 mt -49.08 -60.97 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -52.03 -35.29 46.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -69.68 -24.44 63.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.3 t80 -94.91 -28.18 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 29' ' ' VAL . 19.0 ptt85 -72.39 -34.0 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.45 -31.17 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -71.41 -57.38 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 17.2 m-70 -72.92 -52.61 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 24' ' ' ARG . 35.7 m -110.38 162.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 115.5 30.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.757 HD13 HD22 ' A' ' 20' ' ' LEU . 14.9 mt -98.8 129.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.7 m -130.44 129.35 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.7 m-85 -100.51 103.75 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -83.77 124.45 30.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -80.51 120.26 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.966 HD12 HG22 ' A' ' 48' ' ' THR . 17.0 mt -100.75 173.53 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -71.24 176.39 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 46' ' ' ARG . 26.6 m -115.62 135.3 54.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -132.47 132.85 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.57 30.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.95 17.67 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.9 p-80 -57.23 -52.72 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.08 115.19 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.77 112.66 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 38' ' ' THR . 38.2 mmt180 -87.13 113.23 22.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 76.0 m-85 -92.05 123.76 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.966 HG22 HD12 ' A' ' 36' ' ' LEU . 15.1 m -91.3 141.11 29.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 19.6 m-85 -141.41 159.35 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -150.62 143.59 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.2 t -105.29 154.71 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.17 116.93 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.3 mt -118.79 136.26 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 49.22 41.17 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 63.44 36.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -114.98 144.62 43.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.47 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 53' ' ' ILE . 31.4 m-85 -90.31 158.41 43.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.828 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.1 Cg_endo -69.78 108.72 2.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -49.02 178.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.5 158.14 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -94.4 155.65 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.81 144.12 11.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -46.1 -57.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.2 p -117.78 152.01 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 5.4 mmmt -34.67 -53.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -63.72 -48.26 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -50.96 -37.62 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.18 -44.15 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.22 -46.59 88.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.83 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -39.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.41 78.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 37.7 tttp -49.36 -46.55 47.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.2 mt -66.32 -39.19 89.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.82 -62.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -49.79 -40.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.83 -37.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.41 -54.26 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' ASP . 33.3 mt -45.82 -54.94 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' LEU . 39.3 t0 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 26.7 m-85 -49.22 -52.32 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.2 mtp -44.56 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -31.06 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -71.59 -34.34 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 14.9 mt -61.66 -49.86 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.89 -56.18 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -49.44 -21.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.94 -30.86 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.615 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -75.39 -28.23 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.06 -23.98 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 9.7 ptm -82.85 -44.69 15.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' MET . 17.6 m-70 -83.11 -27.37 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.24 47.66 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 24' ' ' ARG . 31.2 m -112.58 -179.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.31 111.07 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.3 mt -98.49 131.92 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -130.54 129.56 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.541 ' CD2' HG22 ' A' ' 51' ' ' VAL . 18.7 m-85 -99.74 104.02 15.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -84.62 135.38 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -91.09 121.12 32.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 48' ' ' THR . 15.7 mt -97.02 176.9 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -71.57 -175.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.2 m -113.46 151.36 31.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -144.91 162.97 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.58 -171.4 13.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.79 169.91 17.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.08 3.69 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 23.4 p-80 -65.61 -52.6 50.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 7.6 t70 -109.0 115.12 29.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -101.77 132.11 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 29.4 mmt180 -106.51 123.89 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 29.6 m-85 -94.84 127.39 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 36' ' ' LEU . 8.8 m -100.18 139.49 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.6 162.37 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -150.68 146.24 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 33' ' ' TYR . 99.8 t -106.61 154.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.19 110.18 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.7 mt -114.49 122.97 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t0 63.24 42.82 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 62.01 25.63 15.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 23.1 ttmt -103.43 141.9 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.57 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.0 m-85 -84.76 158.29 59.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.731 0.777 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.83 174.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.6 158.97 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -99.02 151.88 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.47 134.03 3.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -39.18 -56.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -113.59 160.85 18.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -40.58 -45.73 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.33 -53.5 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -44.99 -34.31 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 47' ' ' PHE . . . -72.56 -47.94 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.22 -47.35 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.16 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -70.11 -31.21 68.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 59.3 tttt -57.68 -49.23 77.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.7 mt -63.58 -37.63 88.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.73 -59.49 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 40.1 t -51.34 -35.78 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.52 -40.12 93.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.27 -52.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 78' ' ' VAL . 32.2 mt -42.42 -56.96 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -66.02 -51.31 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.2 mtp -42.93 -42.73 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.96 -39.74 90.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE3' HG11 ' A' ' 78' ' ' VAL . 22.3 mtmt -62.55 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 20' ' ' LEU . 12.2 mt -50.54 -54.21 24.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -52.37 -60.22 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -45.59 -21.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.4 t80 -93.63 -34.79 13.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.8 ptt85 -70.1 -30.38 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.66 -26.4 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.2 ttp -78.14 -57.35 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.702 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 45.3 m-70 -72.37 -35.46 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.51 48.2 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.3 m -113.52 177.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 111.16 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG23 ' CG1' ' A' ' 51' ' ' VAL . 4.0 mt -97.96 130.65 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -129.24 136.16 49.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.28 105.33 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -86.24 122.97 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.39 110.18 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 HG22 ' A' ' 48' ' ' THR . 43.6 mt -85.78 168.69 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 t -68.22 -174.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 45' ' ' ARG . 20.1 m -110.61 141.75 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -137.7 135.02 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.68 -168.15 25.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 169.51 18.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.65 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 45.2 p-80 -73.49 -48.65 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.2 t0 -107.49 115.07 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 38' ' ' THR . 19.1 mmt85 -106.61 119.94 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -97.42 114.29 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 66' ' ' LYS . 27.2 m-85 -87.35 115.68 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.853 HG22 HD12 ' A' ' 36' ' ' LEU . 10.7 m -87.61 148.1 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -144.56 165.45 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -155.46 146.92 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 31' ' ' ILE . 69.1 t -108.04 152.95 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.26 110.17 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.2 mt -111.5 124.2 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 59.25 45.58 13.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 61.89 26.1 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -101.56 148.12 25.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -105.2 108.45 19.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.4 m-85 -89.45 158.05 46.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 106.54 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.6 pm0 -45.79 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.31 158.76 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -97.74 143.55 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.22 135.32 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 64' ' ' ARG . 8.4 ttp-105 -38.51 -56.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -116.28 164.79 13.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mmtt -43.69 -54.77 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ARG . 4.9 mt-30 -61.26 -63.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLN . 3.7 tp10 -35.4 -39.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.32 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' GLN . 84.2 mtt180 -49.75 -43.35 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -42.33 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.83 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.44 70.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.81 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -52.73 -47.29 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.5 mt -66.36 -37.38 85.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.99 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 ' HE3' ' A' ' 19' ' ' LYS . 68.1 t -45.54 -39.83 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.24 85.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.01 -48.03 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.1 mt -49.71 -52.45 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.4 m-85 -68.6 -56.69 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.3 mtp -41.95 -41.58 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.27 -36.7 84.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HE3' HG11 ' A' ' 78' ' ' VAL . 33.7 mtmt -64.3 -39.87 94.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.49 -53.63 55.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.7 -41.2 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -62.14 -22.22 65.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 30.4 t80 -94.93 -36.82 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HA ' HG22 ' A' ' 29' ' ' VAL . 20.3 ptt85 -62.91 -35.56 80.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.94 -18.91 35.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 mmm -81.22 -46.99 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.7 m-70 -86.51 -38.02 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.6 44.44 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.2 m -109.04 172.97 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.96 113.01 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 51' ' ' VAL . 7.9 mt -99.53 129.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -129.74 128.15 41.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD2' HG22 ' A' ' 51' ' ' VAL . 9.9 m-85 -97.68 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -83.84 132.39 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.15 117.61 28.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 48' ' ' THR . 13.8 mt -93.9 173.79 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 t -74.65 173.91 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 46' ' ' ARG . 24.6 m -96.87 136.03 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -132.58 120.9 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.29 -168.02 33.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.73 168.84 20.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 54.1 p-80 -60.22 -51.22 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 2.7 t70 -108.86 115.19 29.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.7 mmt85 -101.53 118.79 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' THR . 19.3 mmt85 -95.36 119.46 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.13 125.31 34.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 36' ' ' LEU . 31.1 m -96.48 144.12 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -142.09 161.04 38.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -152.63 149.25 28.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 33' ' ' TYR . 97.2 t -109.48 153.77 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.36 110.76 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.4 mt -113.63 131.5 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 54.09 43.65 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 62.58 24.99 14.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -102.26 146.48 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.64 108.71 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.613 ' CE1' HD12 ' A' ' 53' ' ' ILE . 34.3 m-85 -89.11 158.31 46.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 36' ' ' LEU . 3.7 pm0 -49.08 178.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.26 156.86 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.19 142.53 30.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.59 133.9 4.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 14.7 ttp-105 -44.57 -51.56 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -109.33 164.28 12.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -53.7 -47.64 70.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -60.87 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.433 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 14.4 tt0 -41.45 -39.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.8 87.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -57.0 -45.66 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.08 -40.9 86.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.76 -65.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.86 -33.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.29 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.4 tttt -53.39 -46.56 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.37 -36.0 76.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.87 -62.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.633 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.4 t -47.96 -41.37 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.62 -44.99 81.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.19 -43.07 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.19 -40.93 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -63.71 -50.92 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.2 mtp -46.93 -33.72 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.02 -34.44 50.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' HG11 ' A' ' 78' ' ' VAL . 38.7 mtmt -65.47 -32.33 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 31' ' ' ILE . 10.5 mt -67.55 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -50.01 -25.61 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -78.54 -29.63 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.1 t80 -88.64 -26.29 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.5 ptt85 -68.74 -40.27 79.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.13 -21.27 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.6 mmm -76.83 -43.43 36.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 20.7 m-70 -90.7 -47.32 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.92 38.95 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 24' ' ' ARG . 18.3 m -103.4 174.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 111.12 20.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 20' ' ' LEU . 16.8 mt -99.12 128.03 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 m -131.31 134.16 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.0 103.79 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -86.48 139.21 31.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -97.43 126.19 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.92 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -69.13 -177.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 45' ' ' ARG . 10.0 m -103.52 116.76 32.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -108.65 118.5 36.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -172.42 34.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.37 2.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 14.9 p-80 -66.16 -48.33 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.01 115.36 29.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.2 mmt180 -102.89 124.29 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' THR . 20.5 mmt85 -104.17 123.67 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -88.68 119.16 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 m -93.74 146.0 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -144.1 165.58 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -155.32 157.09 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 52' ' ' LEU . 57.0 t -115.96 154.07 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 5.3 mp -131.35 115.41 16.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 6.2 mt -120.56 124.57 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t0 60.18 41.89 16.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.76 24.92 13.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 28.1 ttmt -104.92 134.8 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.44 112.14 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 26.8 m-85 -89.29 158.9 45.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -48.0 176.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.17 160.8 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -99.89 148.16 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.54 138.09 6.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -42.34 -57.09 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.4 p -114.68 157.88 22.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -40.64 -42.96 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -69.57 -48.82 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.44 -35.19 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.7 -52.24 58.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -51.26 -43.54 61.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -61.59 -56.38 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.9 -47.55 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.7 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.4 -30.19 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -54.43 -49.94 68.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.96 -34.59 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.99 -61.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.584 HG11 ' HE3' ' A' ' 19' ' ' LYS . 43.8 t -52.12 -35.16 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.52 -45.46 93.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.15 -54.66 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 82' ' ' ASP . 30.9 mt -46.17 -53.51 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 34.9 t70 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.1 t80 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 41.5 m-85 -60.59 -59.29 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' TYR . 87.8 mtp -37.57 -40.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.61 -42.99 85.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HE3' HG11 ' A' ' 78' ' ' VAL . 39.1 mtmt -58.21 -36.53 73.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 31' ' ' ILE . 10.9 mt -60.01 -62.44 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -50.71 -47.38 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -55.16 -22.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.9 t80 -94.93 -38.83 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HA ' HG22 ' A' ' 29' ' ' VAL . 17.8 ptt85 -63.65 -35.77 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.57 -16.52 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.1 ttp -88.89 -62.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 12.8 m-70 -68.43 -45.62 72.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.71 49.68 0.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 24' ' ' ARG . 26.9 m -116.76 167.31 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.47 115.63 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.63 HD13 HD22 ' A' ' 20' ' ' LEU . 1.5 mt -102.85 127.19 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -128.6 132.12 48.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.1 m-85 -102.45 103.86 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -83.2 130.61 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -88.42 104.95 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 48' ' ' THR . 31.6 mt -78.01 -177.48 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -81.47 -179.3 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -108.84 117.64 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t -112.98 148.06 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.5 -176.25 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.65 18.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -37.97 8.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 36.8 p-80 -68.33 -52.59 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.534 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 t70 -109.15 115.18 29.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -102.28 128.54 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -106.31 119.43 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CG ' ' HD3' ' A' ' 66' ' ' LYS . 23.8 m-85 -89.41 114.51 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 HD12 ' A' ' 36' ' ' LEU . 6.3 m -89.38 142.94 27.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -142.65 164.88 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -157.0 151.78 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 33' ' ' TYR . 86.3 t -113.73 153.85 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.25 111.57 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.712 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.5 mt -113.39 127.1 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 t70 56.8 46.33 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.89 25.28 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -102.34 146.92 27.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.72 110.7 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.712 ' CE1' HD12 ' A' ' 53' ' ' ILE . 39.0 m-85 -90.55 157.9 43.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 109.83 2.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -50.26 -178.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.24 160.41 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -99.7 149.92 22.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -151.76 128.82 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -38.21 -58.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -102.18 149.1 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -42.88 -48.93 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.74 -50.04 59.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -46.56 -38.66 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.04 91.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -53.01 -44.96 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -59.3 -51.65 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.84 -56.97 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.14 -38.72 18.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.45 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -51.5 -50.78 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.69 -36.87 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.07 -60.52 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 ' HE3' ' A' ' 19' ' ' LYS . 97.6 t -50.21 -37.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.45 -43.92 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.8 mt -68.02 -60.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' ILE . 46.6 mt -34.64 -52.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LYS . 36.1 m-85 -67.36 -50.41 59.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.3 mtp -45.42 -28.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.6 -31.7 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' TYR . 35.0 mtmt -71.87 -35.21 69.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 31' ' ' ILE . 8.8 mt -58.12 -56.37 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -51.4 -57.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.99 -21.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 21.5 t80 -93.97 -36.7 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.1 ptt85 -67.76 -36.72 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.97 -14.91 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.6 ttp -88.55 -55.74 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 38.2 m-70 -75.73 -36.75 59.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.85 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.6 m -113.49 165.24 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.74 113.05 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.643 HD13 HD22 ' A' ' 20' ' ' LEU . 2.7 mt -98.53 128.73 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -128.22 133.0 48.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -100.99 105.68 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -87.11 128.84 35.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -85.8 127.47 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 48' ' ' THR . 10.5 mt -107.73 163.38 13.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -63.15 176.45 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 46' ' ' ARG . 23.1 m -102.87 138.47 39.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.4 p -130.2 129.91 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.07 -173.25 26.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.75 169.71 18.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.95 2.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 7.5 p-80 -62.98 -55.01 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.2 m-20 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HB3' HG21 ' A' ' 38' ' ' THR . 11.1 mmt180 -100.81 134.6 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' THR . 66.6 mmt-85 -113.27 117.95 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.38 127.01 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 36' ' ' LEU . 19.1 m -98.19 146.23 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.14 164.11 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -155.14 145.21 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 52' ' ' LEU . 91.5 t -104.41 154.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.24 110.83 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 20' ' ' LEU . 18.7 mt -114.34 137.26 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t0 49.62 42.02 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 61.23 34.57 18.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -112.56 140.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.55 107.14 19.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.7 m-85 -86.51 158.58 54.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.693 0.758 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.8 108.39 2.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -47.98 176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.81 157.16 38.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -95.78 147.5 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.75 140.34 8.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -45.26 -60.49 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.424 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 22.8 t -107.07 163.82 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -47.13 -58.4 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -59.15 -51.08 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -45.46 -40.15 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.29 86.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -52.64 -42.92 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -61.63 -53.39 56.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 -57.11 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.36 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.99 79.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -51.87 -47.01 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.3 mt -65.82 -40.79 92.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.39 -64.38 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' HE3' ' A' ' 19' ' ' LYS . 58.8 t -46.49 -37.11 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.43 -40.77 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mt -70.94 -45.03 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.31 -53.25 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.87 -48.02 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.1 mtp -49.66 -31.85 11.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.53 -31.07 53.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' HG11 ' A' ' 78' ' ' VAL . 32.5 mtmt -70.5 -32.05 69.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 31' ' ' ILE . 11.4 mt -67.19 -55.63 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -52.85 -54.66 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -50.55 -21.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.1 t80 -94.52 -36.59 11.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -67.06 -41.4 86.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -75.13 -20.33 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 ttp -86.44 -54.94 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.2 m-70 -72.17 -40.98 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.91 45.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.5 m -115.93 158.09 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.5 110.87 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 20' ' ' LEU . 4.2 mt -99.3 130.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -130.5 129.55 43.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -92.32 103.75 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 21.8 tptt -74.58 136.64 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.25 100.93 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.654 HD12 HG22 ' A' ' 48' ' ' THR . 6.7 mt -83.81 162.28 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -67.0 -177.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -96.74 139.69 32.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -134.97 125.91 27.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.04 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.546 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.56 4.21 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.5 p-80 -67.26 -54.07 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.3 m-20 -109.08 115.26 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.4 mmt85 -103.31 124.93 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 -103.71 121.04 42.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -86.05 124.14 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.654 HG22 HD12 ' A' ' 36' ' ' LEU . 17.7 m -94.27 142.08 27.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 20.2 m-85 -142.55 165.69 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -163.23 142.4 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 31' ' ' ILE . 70.9 t -95.73 154.48 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.2 mp -131.37 110.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.1 mt -113.8 138.47 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 45.48 45.28 10.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 60.93 29.0 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -105.32 135.88 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.54 110.27 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.755 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.2 m-85 -86.47 158.87 54.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 102.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -44.97 170.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.19 164.5 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -98.07 146.74 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.73 131.73 3.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.4 -52.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.8 p -122.7 161.11 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -42.52 -47.55 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' ' C ' ' A' ' 67' ' ' GLN . 1.7 tm0? -67.46 -52.61 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.8 -32.66 14.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -69.67 -43.92 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -54.61 -45.67 73.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.79 -51.98 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.31 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.08 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -56.02 -49.63 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 59' ' ' PRO . 19.2 mt -64.7 -36.59 84.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.45 -60.21 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.442 HG11 ' HE3' ' A' ' 19' ' ' LYS . 88.9 t -50.06 -36.25 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.13 -43.54 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.84 -50.65 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 78' ' ' VAL . 37.5 mt -45.75 -53.68 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.822 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -48.0 -50.13 28.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.7 mtp -48.51 -35.19 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.35 -31.49 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HE3' HG11 ' A' ' 78' ' ' VAL . 40.9 mtmt -70.3 -30.36 67.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 17.9 mt -69.52 -58.17 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -52.02 -31.07 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -75.06 -23.45 58.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 5.3 t80 -94.84 -27.18 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HA ' HG22 ' A' ' 29' ' ' VAL . 26.6 ptt85 -68.53 -36.33 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.96 -38.73 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -62.27 -61.44 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.613 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.2 m-70 -69.62 -40.06 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.89 45.35 2.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.0 m -106.71 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.19 111.43 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 9.2 mt -99.05 129.43 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -130.9 130.81 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CD2' HG22 ' A' ' 51' ' ' VAL . 12.3 m-85 -100.75 104.1 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -85.3 135.04 34.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 48' ' ' THR . 15.6 mt -92.63 177.83 5.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -71.35 -176.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.59 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -129.76 151.23 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.64 -174.01 18.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.4 p-80 -60.28 -55.43 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.472 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 9.4 t70 -108.98 115.19 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -101.07 130.87 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -107.85 119.43 39.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.454 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 14.7 m-85 -89.34 123.82 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 36' ' ' LEU . 12.1 m -93.08 140.92 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.0 161.33 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.25 152.53 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 31' ' ' ILE . 96.6 t -112.93 152.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.5 mp -131.16 111.84 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.537 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 10.5 mt -113.58 123.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.79 43.01 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.86 29.52 14.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -104.61 148.55 26.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.93 105.95 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 43.9 m-85 -86.91 157.84 54.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.692 0.758 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.534 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.83 105.78 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 174.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.83 158.06 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -97.6 148.39 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.09 159.35 28.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -64.55 -51.32 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -117.84 156.93 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HE3' ' CD1' ' A' ' 47' ' ' PHE . 27.1 mmtp -40.18 -49.79 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.45 -53.84 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -43.96 -38.81 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.48 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -46.35 -46.56 18.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.08 -49.69 74.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.47 -47.21 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.43 86.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 19.8 tttm -50.15 -51.16 45.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -63.41 -38.18 90.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.62 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.5 t -49.39 -46.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -36.49 66.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.91 -56.06 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.2 mt -42.43 -53.34 4.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' LEU . 7.0 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.42 -41.43 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 74.8 mtp -52.95 -27.85 20.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.06 -37.49 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -68.65 -26.98 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 31' ' ' ILE . 12.5 mt -65.83 -60.29 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.35 -44.99 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.59 -22.48 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 21.9 t80 -94.98 -32.05 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.556 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.2 ptt85 -71.68 -29.04 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -84.16 -29.69 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -77.19 -57.77 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.556 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.1 m-70 -71.33 -31.81 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.35 48.09 3.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.7 m -113.41 171.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.33 117.05 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -103.69 125.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -127.33 129.77 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 51' ' ' VAL . 6.4 m-85 -99.45 106.81 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -87.34 143.64 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -99.95 119.66 38.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 48' ' ' THR . 7.7 mt -97.0 -178.31 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -76.22 178.06 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 46' ' ' ARG . 30.4 m -104.95 125.58 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -120.06 146.03 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.7 -171.45 22.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.592 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.72 168.6 21.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.82 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.6 p-80 -61.43 -51.97 66.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.36 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.1 mmt180 -102.13 122.45 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 38' ' ' THR . 21.0 mmt85 -102.56 123.57 46.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -89.79 126.31 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.537 HG22 HD12 ' A' ' 36' ' ' LEU . 88.6 m -97.96 144.83 27.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -142.52 168.24 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.7 pt20 -155.74 156.38 34.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 31' ' ' ILE . 75.7 t -117.06 153.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.2 112.18 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.1 mt -114.3 118.28 58.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 65.03 45.97 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 60.96 24.99 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 36.6 tttp -102.0 142.67 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -100.1 108.55 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 53' ' ' ILE . 35.3 m-85 -88.31 158.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.657 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.73 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.61 -179.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.6 158.52 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -96.5 143.33 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.92 131.48 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 55.9 mtp180 -35.42 -60.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -110.13 171.92 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.76 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -71.24 -46.68 60.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.76 -35.87 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.28 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -49.92 -44.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -64.43 -43.87 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -54.86 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.63 -32.43 18.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -75.08 -26.19 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -60.74 -45.5 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.2 mt -66.48 -38.15 86.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.25 -62.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 74' ' ' ALA . 99.1 t -45.64 -36.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.79 -47.65 82.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.81 -50.43 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -46.48 -52.7 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.2 t80 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 40.7 m-85 -64.21 -52.69 57.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.5 mtp -40.33 -47.88 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.651 ' HE3' HG11 ' A' ' 78' ' ' VAL . 37.0 mtmt -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 31' ' ' ILE . 11.8 mt -55.23 -59.3 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -52.9 -33.47 50.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -70.5 -23.17 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.0 t80 -94.88 -33.46 12.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.4 ptt180 -63.3 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -87.69 -40.57 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.4 ttm -61.5 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.79 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 23.0 m-70 -78.22 -47.22 18.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 47.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.8 m -114.25 167.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.79 110.42 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 HD22 ' A' ' 20' ' ' LEU . 31.2 mt -92.32 135.23 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.2 m -133.2 128.91 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD2' HG22 ' A' ' 51' ' ' VAL . 34.2 m-85 -103.02 103.82 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -85.35 123.37 30.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.8 118.32 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.78 HD12 HG22 ' A' ' 48' ' ' THR . 58.8 mt -92.56 168.27 11.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.8 m -73.35 167.41 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 m -93.85 145.66 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.4 m -140.81 135.24 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -170.04 24.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.74 169.86 17.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.88 2.97 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.6 p-80 -66.96 -52.0 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 15.0 t0 -109.11 115.24 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.4 mmt180 -110.54 127.92 55.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -101.3 115.79 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.1 120.32 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD12 ' A' ' 36' ' ' LEU . 5.4 m -95.52 144.7 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -145.44 168.85 19.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.548 ' OE1' HD21 ' A' ' 36' ' ' LEU . 8.4 pt20 -158.12 147.76 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 33' ' ' TYR . 47.2 t -109.33 154.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.31 113.13 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.5 mt -114.13 124.78 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t0 59.88 43.66 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 61.52 34.66 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 21.7 ttmt -110.59 149.3 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -104.55 108.57 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' A' ' 53' ' ' ILE . 42.2 m-85 -89.13 158.26 46.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.693 0.758 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 108.53 2.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.494 ' CD ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -48.74 178.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.42 158.42 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -95.12 145.33 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.1 130.8 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLY . 19.4 ttp180 -34.63 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.833 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -111.75 171.57 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -51.84 -39.73 59.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -42.83 -38.55 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.18 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -52.82 -44.7 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -66.1 -49.0 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.93 -37.42 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.75 85.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 81.3 tttt -49.26 -48.27 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.29 -34.99 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.28 -63.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.651 HG11 ' HE3' ' A' ' 19' ' ' LYS . 63.3 t -46.68 -41.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -52.83 -49.22 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.3 mt -63.3 -48.08 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 53' ' ' ILE . 21.9 mt -57.29 -43.91 83.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.1 t80 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.07 -48.2 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.2 mtp -47.57 -34.76 8.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.2 -34.58 70.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.9 mtmt -70.12 -36.71 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.01 -55.55 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -56.1 -37.36 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.81 -22.68 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.5 t80 -95.08 -28.39 15.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.622 ' HA ' HG22 ' A' ' 29' ' ' VAL . 18.0 ptt85 -70.2 -30.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' MET . 11.6 pt20 -88.09 -35.89 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 8.6 mtm -66.48 -47.52 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.0 m-70 -81.5 -47.56 12.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 52.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.3 m -120.22 176.94 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.69 111.83 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG23 ' CG1' ' A' ' 51' ' ' VAL . 22.0 mt -97.67 136.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -134.36 128.61 34.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 51' ' ' VAL . 35.6 m-85 -98.99 107.38 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -88.81 123.77 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.4 tt0 -83.9 119.93 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 48' ' ' THR . 9.9 mt -97.93 167.35 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -65.45 175.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 45' ' ' ARG . 41.0 m -100.76 137.22 39.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -132.58 133.28 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.05 -173.26 23.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.555 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.1 Cg_endo -69.79 170.01 17.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.3 p-80 -58.66 -53.67 55.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.484 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -109.13 115.14 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 38' ' ' THR . 11.4 mmt180 -99.68 123.99 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 mmt-85 -107.2 112.98 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -87.62 129.04 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.926 HG22 HD12 ' A' ' 36' ' ' LEU . 10.2 m -96.99 137.92 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 35' ' ' GLU . 12.7 m-85 -138.72 163.58 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.04 149.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 33' ' ' TYR . 78.6 t -107.59 154.36 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.26 111.15 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 17.2 mt -114.07 134.49 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 50.85 45.19 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.26 26.48 16.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -103.84 147.31 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.8 112.32 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -90.6 157.88 43.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 109.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' HG22 ' A' ' 48' ' ' THR . 2.4 pm0 -49.49 169.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.73 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -95.69 146.38 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.87 141.35 9.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -45.97 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 m -110.05 177.99 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -56.52 -55.43 33.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 mp0 -59.19 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -38.71 -35.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.91 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' GLN . 35.6 mtt180 -59.22 -46.06 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -58.0 10.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -44.86 -61.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.84 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.61 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ALA . 43.9 tttp -50.98 -49.54 60.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.8 mt -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.68 -63.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.2 t -48.52 -39.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.89 -42.95 94.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -67.96 -46.31 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.8 mt -55.17 -43.68 74.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.831 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -55.74 -45.5 78.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.488 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 29.2 mmm -49.18 -47.39 46.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -30.01 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -75.64 -36.48 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 31' ' ' ILE . 11.5 mt -62.29 -59.0 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -54.23 -28.88 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -74.69 -24.5 58.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 33.2 t80 -94.8 -20.59 19.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' HG22 ' A' ' 29' ' ' VAL . 22.7 ptt85 -79.54 -33.99 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -82.28 -32.89 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.6 mtm -72.47 -58.42 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 19.0 m-70 -69.73 -49.19 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.13 45.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.1 m -112.58 157.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.603 HG23 ' CG1' ' A' ' 51' ' ' VAL . 8.2 mt -95.64 130.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -133.34 130.67 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CD2' HG22 ' A' ' 51' ' ' VAL . 50.2 m-85 -101.57 106.94 18.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -86.94 123.53 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.92 109.02 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 48' ' ' THR . 12.6 mt -86.48 -179.89 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -75.18 -176.85 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.926 HG23 ' O ' ' A' ' 46' ' ' ARG . 44.0 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -132.63 123.35 26.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.85 32.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.43 3.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 44' ' ' ASP . 14.5 p-80 -68.15 -47.41 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 m-20 -109.05 115.21 29.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.0 mmt180 -105.69 119.93 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 38' ' ' THR . 50.1 mmt-85 -92.49 115.06 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.28 120.61 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 36' ' ' LEU . 25.2 m -95.41 144.55 25.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 25.9 m-85 -143.22 166.95 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.0 pt20 -157.56 151.68 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.707 HG22 ' CD2' ' A' ' 33' ' ' TYR . 89.4 t -110.11 154.57 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.08 110.97 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.7 mt -113.58 124.96 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 56.99 46.88 18.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 59.31 29.43 18.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 12.4 ttmm -107.09 130.83 54.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -89.55 106.36 18.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.0 m-85 -85.79 158.72 56.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 105.67 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.3 pm0 -47.69 175.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.92 160.48 43.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -95.86 152.39 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.31 152.66 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.15 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -119.0 160.06 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -40.22 -56.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.2 -53.7 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -46.98 -38.87 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.04 -48.66 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -52.65 -48.39 66.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.8 -37.16 73.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.28 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -52.18 -31.49 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.77 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 43.3 tttm -49.25 -42.62 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 59' ' ' PRO . 16.9 mt -70.01 -37.3 75.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.16 -61.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -48.04 -45.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.34 -31.61 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.99 -55.08 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' ASP . 48.5 mt -42.24 -49.81 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.76 -50.69 65.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -45.7 -40.88 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.8 -39.69 79.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' HG11 ' A' ' 78' ' ' VAL . 24.2 mtmt -61.89 -32.18 72.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 31' ' ' ILE . 8.5 mt -68.19 -58.35 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -52.48 -30.33 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -74.09 -23.47 59.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t80 -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.1 ptt180 -67.71 -30.3 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -88.24 -30.51 19.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.86 -45.37 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 m-70 -86.94 -36.95 18.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.51 44.1 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.2 m -110.18 164.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.33 110.71 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.528 HD13 HD22 ' A' ' 20' ' ' LEU . 10.7 mt -95.41 130.63 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.4 m -130.35 134.76 47.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.595 ' CD2' HG22 ' A' ' 51' ' ' VAL . 63.0 m-85 -104.44 104.29 14.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -85.32 119.66 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.82 116.43 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.933 HD12 HG22 ' A' ' 48' ' ' THR . 11.2 mt -95.15 171.33 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 p -65.37 173.83 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 m -111.2 135.5 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -132.68 158.33 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.53 -170.88 17.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.1 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 49.7 p-80 -58.46 -51.88 67.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 1.2 m-20 -108.63 115.17 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -100.75 118.6 37.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -97.4 113.75 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -89.69 131.03 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.933 HG22 HD12 ' A' ' 36' ' ' LEU . 15.2 m -99.01 137.47 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -135.63 166.24 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -157.23 139.77 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 33' ' ' TYR . 93.4 t -102.12 154.59 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.18 114.01 14.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.4 mt -115.21 133.95 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 t70 52.35 39.48 27.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.61 34.3 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 23.6 tttm -111.56 142.97 43.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -97.97 107.76 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -87.29 158.4 52.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.77 106.0 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -47.4 172.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.02 41.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -94.83 146.17 24.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -42.69 -56.76 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -110.88 178.31 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -58.27 -56.49 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.31 -55.11 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -42.86 -35.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -58.48 -43.56 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.81 -49.08 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -55.46 -63.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.53 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' ALA . 45.2 tttp -50.91 -50.5 57.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.6 mt -64.94 -36.51 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.39 -61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.0 t -50.78 -47.08 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.11 -45.97 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.5 -59.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 78' ' ' VAL . 27.8 mt -37.75 -54.97 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -64.77 -49.51 70.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.2 mtp -46.09 -40.77 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.61 -33.86 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.52 -37.95 77.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.93 -53.11 61.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.11 -56.64 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -47.86 -20.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 56.5 t80 -94.88 -37.24 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.657 ' HA ' HG22 ' A' ' 29' ' ' VAL . 15.7 ptt180 -66.65 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.68 -20.87 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 ttm -82.6 -53.38 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 13.9 m-70 -77.53 -36.62 52.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.36 45.34 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.7 m -108.56 179.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.06 110.94 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 5.1 mt -96.52 129.49 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 m -130.54 128.9 42.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.536 ' CD2' HG22 ' A' ' 51' ' ' VAL . 14.6 m-85 -101.21 104.04 15.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -81.05 133.7 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.78 107.03 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD12 HG22 ' A' ' 48' ' ' THR . 18.7 mt -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 t -83.5 172.99 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 m -91.01 147.72 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.3 p -142.63 148.24 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.42 -169.77 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.51 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.76 169.36 19.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.53 3.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 22.1 p-80 -66.82 -50.04 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -107.96 115.18 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -103.24 124.89 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -104.96 126.09 51.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -93.28 129.87 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.66 HG22 HD12 ' A' ' 36' ' ' LEU . 16.9 m -102.45 147.3 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.83 157.0 43.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -145.29 155.09 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.7 t -116.31 152.8 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 114.12 14.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.5 mt -117.68 122.24 69.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 61.55 46.69 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 59.8 27.05 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -105.05 140.7 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -99.06 109.6 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.735 ' CE1' HD12 ' A' ' 53' ' ' ILE . 40.5 m-85 -88.14 158.07 50.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.26 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.91 156.12 36.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -94.62 153.79 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.38 141.76 8.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -51.14 -58.92 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -106.23 154.23 21.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -42.73 -47.03 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.32 -44.49 75.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -55.47 -34.63 64.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.6 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -56.02 -47.79 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.35 -41.06 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.81 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -52.7 -48.41 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.8 mt -64.33 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.6 -58.6 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.25 -42.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.8 -36.08 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -76.76 -56.01 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' ASP . 44.4 mt -39.86 -55.07 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' LEU . 9.1 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.88 -42.73 99.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.8 mtp -58.15 -28.72 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.39 -31.91 48.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.4 mtmt -68.79 -32.89 72.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.52 -62.46 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -52.05 -27.78 14.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.94 -23.97 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 22.2 t80 -94.83 -23.04 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -72.0 -31.2 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 1.3 ptp -56.9 -44.7 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.689 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 24.3 m-70 -84.22 -45.73 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.32 35.0 3.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.1 m -97.5 -177.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 110.81 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 4.4 mt -97.22 128.37 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 m -128.79 132.46 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -105.21 103.79 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.89 153.23 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -107.09 107.08 17.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.9 mt -88.45 165.95 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -58.9 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.9 m -119.26 128.38 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.8 m -119.11 160.72 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -174.38 16.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.29 19.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 47.4 p-80 -58.81 -52.19 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -109.11 115.25 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -101.06 127.96 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mmt85 -108.27 121.93 45.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -88.35 135.22 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 36' ' ' LEU . 21.0 m -105.79 131.15 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -132.56 163.85 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -152.2 162.37 41.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 31' ' ' ILE . 97.8 t -120.47 152.65 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.15 117.07 18.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 58' ' ' PHE . 14.7 mt -119.73 128.42 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.06 41.99 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.89 27.74 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -104.69 144.08 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.91 112.44 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.3 m-85 -90.78 157.84 43.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.68 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.76 104.79 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.1 pm0 -48.65 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -155.25 158.65 39.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.93 152.86 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.86 137.7 6.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -39.86 -55.87 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 p -117.75 163.22 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.8 -47.57 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.73 -43.82 79.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.24 -33.9 68.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.93 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -50.66 -46.41 58.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.78 -48.97 79.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -56.85 -59.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -44.1 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.7 tttt -49.96 -46.6 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.2 mt -67.5 -39.56 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.0 -63.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 19' ' ' LYS . 16.2 t -46.08 -43.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.87 -35.47 68.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.0 mt -74.28 -52.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.2 mt -45.32 -55.56 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t70 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 24.6 m-85 -54.08 -47.07 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.524 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 38.2 mmm -44.56 -45.85 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -30.33 70.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -76.19 -35.07 59.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 13.4 mt -64.29 -56.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.38 -53.73 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -49.94 -21.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 t80 -94.8 -38.83 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -63.87 -42.94 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 2.1 pt20 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.568 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 43.4 ttp -75.9 -64.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.605 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.6 m-70 -62.87 -38.53 91.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.94 42.85 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.0 m -108.39 163.72 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.2 113.63 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 8.7 mt -100.71 127.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -128.42 130.01 46.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.602 ' CD2' HG22 ' A' ' 51' ' ' VAL . 67.8 m-85 -99.33 103.93 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -83.4 117.09 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.32 124.93 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 48' ' ' THR . 27.7 mt -100.76 168.62 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -70.38 175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.468 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -94.05 150.87 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -145.26 135.82 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.46 -171.23 23.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.496 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.76 169.61 18.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -32.71 17.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.3 p-80 -75.75 -53.65 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -108.88 115.18 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HB3' HG21 ' A' ' 38' ' ' THR . 21.0 mmt180 -104.4 132.39 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -108.98 117.85 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.77 121.95 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.601 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.56 148.48 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -147.16 165.6 29.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 8.8 pt20 -154.8 151.39 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 33' ' ' TYR . 61.4 t -110.09 152.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 110.65 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.9 mt -116.41 131.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' CD ' ' A' ' 55' ' ' GLU . 3.7 t70 54.14 47.79 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 3.4 mp0 56.65 34.51 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -112.5 139.57 47.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.77 108.37 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.9 m-85 -87.55 158.17 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 107.59 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -49.53 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.21 159.69 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -97.55 145.18 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.07 140.94 9.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -49.99 -53.73 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -109.22 163.05 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -50.19 -61.15 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.11 -44.38 91.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.03 -37.08 52.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.75 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -59.13 -43.06 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -63.68 -37.55 87.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.03 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.46 -33.59 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -69.54 -37.28 77.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 55.2 tttm -49.56 -51.09 39.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.67 -61.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 81' ' ' LEU . 73.5 t -48.28 -39.13 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.45 -36.04 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.7 -51.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 78' ' ' VAL . 38.4 mt -43.91 -57.49 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t70 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 19.1 m-85 -54.74 -47.78 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.5 mtp -46.06 -42.17 13.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -32.85 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -71.63 -31.61 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.3 -57.31 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -49.48 -48.89 47.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.35 -21.09 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -94.97 -29.65 14.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.8 ' HA ' HG22 ' A' ' 29' ' ' VAL . 23.2 ptt85 -75.53 -30.59 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -88.97 -18.13 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 ttm -87.38 -51.35 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -80.82 -29.94 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.7 47.05 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 24' ' ' ARG . 23.6 m -112.57 166.81 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 110.78 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.458 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.0 mt -98.36 133.66 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.7 m -131.63 137.51 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.533 ' CD2' HG22 ' A' ' 51' ' ' VAL . 58.6 m-85 -105.92 103.82 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -85.53 127.46 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -83.02 129.39 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 48' ' ' THR . 29.8 mt -106.35 169.17 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -62.1 -176.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -118.23 132.09 56.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 p -125.15 163.16 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.74 -172.72 14.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.498 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.74 169.98 17.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.98 2.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 29.2 p-80 -64.87 -49.24 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 46' ' ' ARG . 11.0 t70 -109.04 115.21 29.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -102.33 123.75 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 47.4 mmt-85 -102.93 114.74 29.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 16.7 m-85 -88.96 125.99 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.684 HG22 HD12 ' A' ' 36' ' ' LEU . 13.8 m -96.67 146.28 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 66' ' ' LYS . 16.2 m-85 -143.94 168.28 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -156.65 148.93 23.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.9 t -108.23 154.49 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.4 110.73 11.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.9 mt -113.48 130.83 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 54.99 39.24 31.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 64.16 32.58 12.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -110.98 135.02 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -90.01 108.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 77' ' ' ALA . 30.6 m-85 -87.83 158.95 49.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.79 106.03 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -48.36 175.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' THR . . . -154.25 160.7 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -99.03 156.73 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -163.83 137.7 4.9 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLY . 34.3 ttt180 -36.79 -60.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -119.86 158.14 27.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -39.21 -51.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -32.98 70.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.87 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.54 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.1 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -38.69 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.93 -29.67 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 56.5 tttm -56.47 -48.78 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.5 mt -64.38 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -68.77 -62.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 74' ' ' ALA . 45.4 t -47.89 -41.27 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.61 -45.25 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LEU . 71.8 mt -65.15 -57.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ASP . 52.9 mt -37.99 -55.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 18.1 t70 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -129.69 122.01 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -127.33 169.24 13.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.89 52.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -112.17 100.89 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.895 0.378 . . . . 0.0 110.857 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -137.83 133.72 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.08 -89.38 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 mtm -72.45 -51.71 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.734 0.302 . . . . 0.0 110.823 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -96.69 141.23 30.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -109.08 119.8 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.47 49.75 0.79 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.648 HG23 ' HD2' ' A' ' 13' ' ' PRO . 98.6 m -62.86 138.98 97.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.178 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.75 81.32 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.65 64.4 2.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -63.81 -56.71 13.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -60.57 -50.75 72.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.0 mtp -47.2 -29.05 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -77.68 -33.94 53.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.7 mtmt -69.23 -33.86 73.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 31' ' ' ILE . 13.1 mt -60.8 -62.02 2.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -49.08 -49.11 43.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -53.47 -21.55 6.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t80 -94.89 -40.95 9.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.693 ' HA ' HG22 ' A' ' 29' ' ' VAL . 12.5 ptt85 -60.14 -28.11 67.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -81.31 -52.27 7.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 23.0 mtm -56.5 -56.09 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.566 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 27.9 m-70 -71.01 -49.92 39.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.55 41.87 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 24' ' ' ARG . 28.6 m -104.66 171.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.856 0.36 . . . . 0.0 111.099 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.06 112.87 25.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 3.3 mt -101.81 127.13 55.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -129.64 134.94 47.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.421 ' CD2' HG22 ' A' ' 51' ' ' VAL . 13.2 m-85 -104.79 103.86 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -81.89 128.45 34.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -86.68 101.54 13.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.767 HD12 HG22 ' A' ' 48' ' ' THR . 11.9 mt -79.77 168.21 19.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -69.71 -176.95 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.0 m -101.95 141.64 34.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 m -135.76 132.47 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.07 -173.44 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.587 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.4 Cg_endo -69.79 169.85 18.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.628 2.219 . . . . 0.0 112.328 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 -35.84 11.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.2 p-80 -72.32 -52.48 16.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.442 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 3.8 t70 -108.88 115.2 29.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -101.96 132.3 47.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -115.28 118.16 32.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -87.32 125.25 34.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.767 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.64 145.94 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.0 158.95 43.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' HD21 ' A' ' 36' ' ' LEU . 7.9 pt20 -151.58 156.33 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 31' ' ' ILE . 93.7 t -114.5 154.56 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 113.24 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 58' ' ' PHE . 17.0 mt -115.69 126.28 73.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 58.32 45.16 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 61.04 29.29 18.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -106.64 146.26 30.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -102.99 112.24 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 39.5 m-85 -91.2 157.75 42.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.76 103.55 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' CD ' HD13 ' A' ' 36' ' ' LEU . 9.0 pt-20 -46.43 173.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.65 156.28 41.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -94.96 151.03 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.26 141.82 7.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.436 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -43.67 -59.49 2.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.8 t -118.94 164.22 15.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.07 -45.66 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -62.38 -59.9 4.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -49.58 -35.26 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.45 -56.65 6.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.6 mtt85 -51.96 -47.72 64.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 -57.4 -45.32 84.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.13 -56.35 21.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -47.92 -38.31 16.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -66.88 -35.34 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -52.74 -47.53 67.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -66.18 -37.53 85.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.01 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 74' ' ' ALA . 30.2 t -51.16 -36.25 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.25 -32.18 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 45.3 mt -78.43 -54.49 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 84' ' ' GLU . 23.7 mt -41.61 -58.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t0 -36.62 -35.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -96.48 -31.65 12.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.0 mm-40 52.12 33.76 12.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -98.09 80.95 2.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.31 150.37 24.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.8 t -99.41 135.08 36.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -56.47 131.21 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.63 -58.14 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 21.9 p-80 -87.65 115.97 25.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.2 m -85.59 116.62 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.5 t -60.67 104.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -72.73 -158.79 4.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -9.19 25.5 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 49.1 m -43.78 101.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.4 p -116.03 -37.19 3.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.509 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -154.96 168.2 27.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 m -87.21 95.61 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.86 -103.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -123.17 154.12 39.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -174.94 116.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.15 75.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -128.08 110.02 12.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.29 39.62 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.8 t -112.27 143.35 43.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -88.61 43.73 1.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.3 m -52.14 136.73 38.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.543 0.687 . . . . 0.0 111.177 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.5 Cg_endo -69.78 -20.67 34.46 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.643 2.228 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -178.31 79.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -88.42 -58.72 2.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.921 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 19' ' ' LYS . 42.3 m-85 -66.31 -57.38 7.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.0 mtp -40.7 -33.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -74.66 -37.42 62.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' TYR . 40.6 mtmt -65.98 -40.52 91.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -53.24 -61.35 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -49.38 -46.27 47.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -57.79 -22.49 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.454 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.4 t80 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.559 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.6 ptt85 -65.56 -41.38 93.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.4 -19.27 53.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 13.3 mmm -80.99 -48.61 12.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.454 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.9 m-70 -84.19 -48.72 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.16 46.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 24' ' ' ARG . 14.6 m -110.39 176.49 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.39 112.21 20.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.45 HD11 ' HB3' ' A' ' 24' ' ' ARG . 3.1 mt -99.18 127.31 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -129.85 133.04 46.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CD2' HG22 ' A' ' 51' ' ' VAL . 43.6 m-85 -101.73 108.04 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -89.29 122.19 32.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.895 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 3.6 tm-20 -81.69 108.12 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 HG22 ' A' ' 48' ' ' THR . 26.9 mt -84.17 174.59 10.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.4 m -72.4 -175.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.19 148.89 25.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.3 t -144.91 142.56 29.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 131.45 -171.58 21.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.559 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.5 Cg_endo -69.8 169.83 18.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.348 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -43.77 2.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.332 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 10.0 p-80 -63.11 -52.23 63.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -109.06 115.19 29.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -101.69 118.29 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -97.4 120.41 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 22.5 m-85 -88.5 126.52 35.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.904 HG22 HD12 ' A' ' 36' ' ' LEU . 17.5 m -95.49 150.04 20.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -149.35 168.26 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -161.22 148.75 15.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.45 ' CG1' HG23 ' A' ' 31' ' ' ILE . 47.1 t -109.63 153.37 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.03 111.3 11.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.558 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.6 mt -114.76 134.47 57.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.22 44.47 28.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 61.05 27.8 17.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 25.4 ttmt -105.1 142.76 34.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -99.81 110.1 22.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.1 m-85 -89.0 158.08 47.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.653 0.74 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.453 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.74 108.4 2.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.305 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -48.91 177.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.82 162.22 38.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.055 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -97.65 153.37 18.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.7 128.9 2.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.519 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -38.9 -63.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 66' ' ' LYS . 14.4 t -103.16 146.69 28.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 65' ' ' SER . 26.5 mmtp -36.17 -53.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -59.78 -59.45 5.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -41.04 -38.27 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.48 86.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.085 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -53.74 -43.16 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.17 -41.22 96.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -63.11 -65.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -38.79 -41.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.53 91.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 35.6 tttm -49.59 -50.09 44.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 59' ' ' PRO . 21.8 mt -64.55 -36.64 84.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.71 -64.6 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.9 t -45.0 -39.48 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.35 -48.22 81.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 25.9 mt -63.06 -54.71 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD21 ' HZ ' ' A' ' 58' ' ' PHE . 28.3 mt -45.27 -51.63 10.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -38.2 -35.51 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -101.56 -29.27 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 54.33 39.02 30.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 30.0 t30 41.44 34.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 85' ' ' ASN . 6.0 ttmm 37.15 43.02 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -72.11 172.38 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -39.53 126.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.5 t -80.26 -53.62 6.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -83.94 145.91 28.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.9 p -55.05 164.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -152.52 145.03 24.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 100.08 81.95 1.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.13 49.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.282 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.0 t -87.0 121.01 28.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.9 t -141.29 105.34 4.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.455 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -98.05 139.76 33.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -118.34 42.16 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.16 -173.06 15.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 p -68.8 95.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -40.46 -61.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 8' ' ' MET . . . -143.7 -43.13 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 7' ' ' GLY . 6.6 ttt -34.65 115.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.04 112.71 18.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.7 p -62.03 172.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.93 83.64 2.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.658 HG23 ' HD2' ' A' ' 13' ' ' PRO . 95.2 m -86.49 139.09 33.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 0.0 111.128 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.658 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.81 81.49 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.76 61.58 1.05 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 16.3 t80 -85.44 -46.85 10.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -75.46 -51.04 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 73.5 mtp -47.24 -36.95 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.35 -38.2 89.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HE2' ' CD1' ' A' ' 15' ' ' PHE . 25.4 mttt -63.83 -47.88 79.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.757 HD22 HD13 ' A' ' 31' ' ' ILE . 11.1 mt -49.08 -60.97 2.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -52.03 -35.29 46.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.4 mttm -69.68 -24.44 63.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.3 t80 -94.91 -28.18 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.651 ' HA ' HG22 ' A' ' 29' ' ' VAL . 19.0 ptt85 -72.39 -34.0 67.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -84.45 -31.17 24.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.0 tmm? -71.41 -57.38 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.469 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 17.2 m-70 -72.92 -52.61 13.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 117.86 42.86 0.59 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.651 HG22 ' HA ' ' A' ' 24' ' ' ARG . 35.7 m -110.38 162.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.86 115.5 30.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.757 HD13 HD22 ' A' ' 20' ' ' LEU . 14.9 mt -98.8 129.92 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.7 m -130.44 129.35 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.7 m-85 -100.51 103.75 15.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -83.77 124.45 30.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -80.51 120.26 24.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.966 HD12 HG22 ' A' ' 48' ' ' THR . 17.0 mt -100.75 173.53 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.3 m -71.24 176.39 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.858 HG23 ' O ' ' A' ' 46' ' ' ARG . 26.6 m -115.62 135.3 54.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.154 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.7 t -132.47 132.85 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.6 -169.57 30.47 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.515 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.95 17.67 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.755 2.303 . . . . 0.0 112.305 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.09 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.701 2.267 . . . . 0.0 112.317 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.9 p-80 -57.23 -52.72 64.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.08 115.19 29.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -100.77 112.66 25.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 38' ' ' THR . 38.2 mmt180 -87.13 113.23 22.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 76.0 m-85 -92.05 123.76 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.825 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.966 HG22 HD12 ' A' ' 36' ' ' LEU . 15.1 m -91.3 141.11 29.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 19.6 m-85 -141.41 159.35 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -150.62 143.59 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.453 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.2 t -105.29 154.71 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.17 116.93 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.3 mt -118.79 136.26 56.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 t0 49.22 41.17 19.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 63.44 36.48 11.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -114.98 144.62 43.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -99.47 111.2 23.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CE1' HD12 ' A' ' 53' ' ' ILE . 31.4 m-85 -90.31 158.41 43.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.671 0.748 . . . . 0.0 110.828 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.1 Cg_endo -69.78 108.72 2.15 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HB2' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -49.02 178.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.5 158.14 28.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -94.4 155.65 16.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.81 144.12 11.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.531 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -46.1 -57.25 4.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 66' ' ' LYS . 24.2 p -117.78 152.01 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HD3' ' CD2' ' A' ' 47' ' ' PHE . 5.4 mmmt -34.67 -53.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -63.72 -48.26 77.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -50.96 -37.62 45.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.431 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.13 -41.84 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -56.18 -44.15 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.22 -46.59 88.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.83 -60.9 3.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -39.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.97 -35.41 78.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 37.7 tttp -49.36 -46.55 47.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.2 mt -66.32 -39.19 89.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.53 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.82 -62.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.8 t -49.79 -40.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.83 -37.79 69.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 22.0 mt -74.41 -54.26 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 83' ' ' ASN . 33.3 mt -45.82 -54.94 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' LEU . 39.3 t0 -37.25 -29.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' LEU . 4.2 m-20 -106.78 -28.8 9.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' LEU . 7.5 mt-10 52.9 34.4 16.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' LYS . 7.6 m-20 -102.19 42.75 1.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 86' ' ' LYS . 8.1 tmtm? -37.31 125.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -53.71 107.04 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -97.72 77.89 2.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 8.8 t -40.82 102.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -74.81 130.66 39.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 12.5 t -143.56 160.92 39.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -66.13 147.18 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 125.0 158.55 10.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 95.57 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.271 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.1 t -127.08 96.13 4.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t 61.29 51.2 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.7 m -151.34 121.72 7.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 p -99.3 117.68 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.04 -123.25 0.64 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.438 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -125.13 138.33 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -157.29 138.64 13.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.88 102.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.06 -177.25 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.752 0.311 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -98.76 60.15 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -98.43 177.62 5.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.79 71.9 5.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.464 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -72.91 137.06 79.6 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.584 0.707 . . . . 0.0 111.138 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.77 -17.68 37.38 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 174.15 81.93 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -88.83 -68.5 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.934 0.397 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 26.7 m-85 -49.22 -52.32 27.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.2 mtp -44.56 -39.92 5.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -31.06 60.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -71.59 -34.34 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 14.9 mt -61.66 -49.86 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.89 -56.18 22.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 mtmp? -49.44 -21.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.94 -30.86 13.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.615 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -75.39 -28.23 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -88.06 -23.98 23.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.446 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 9.7 ptm -82.85 -44.69 15.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' N ' ' CG ' ' A' ' 26' ' ' MET . 17.6 m-70 -83.11 -27.37 30.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.841 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.24 47.66 5.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 24' ' ' ARG . 31.2 m -112.58 -179.26 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.132 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.31 111.07 16.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.3 mt -98.49 131.92 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 m -130.54 129.56 42.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.541 ' CD2' HG22 ' A' ' 51' ' ' VAL . 18.7 m-85 -99.74 104.02 15.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -84.62 135.38 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -91.09 121.12 32.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.597 HD12 HG22 ' A' ' 48' ' ' THR . 15.7 mt -97.02 176.9 5.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -71.57 -175.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.2 m -113.46 151.36 31.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.7 t -144.91 162.97 35.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.58 -171.4 13.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.558 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.79 169.91 17.83 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.691 2.261 . . . . 0.0 112.324 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.08 3.69 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 23.4 p-80 -65.61 -52.6 50.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 7.6 t70 -109.0 115.12 29.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -101.77 132.11 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 38' ' ' THR . 29.4 mmt180 -106.51 123.89 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 29.6 m-85 -94.84 127.39 40.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.597 HG22 HD12 ' A' ' 36' ' ' LEU . 8.8 m -100.18 139.49 35.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -139.6 162.37 35.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -150.68 146.24 26.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.541 HG22 ' CD2' ' A' ' 33' ' ' TYR . 99.8 t -106.61 154.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.19 110.18 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.7 mt -114.49 122.97 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t0 63.24 42.82 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 62.01 25.63 15.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.58 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 23.1 ttmt -103.43 141.9 35.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -98.57 105.36 17.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.0 m-85 -84.76 158.29 59.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.731 0.777 . . . . 0.0 110.841 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.0 Cg_endo -69.77 107.18 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.83 174.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -150.6 158.97 44.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -99.02 151.88 20.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -157.47 134.03 3.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.487 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -39.18 -56.47 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -113.59 160.85 18.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -40.58 -45.73 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -67.33 -53.5 28.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -44.99 -34.31 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 47' ' ' PHE . . . -72.56 -47.94 44.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 mtt180 -55.22 -47.35 75.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.31 -42.33 98.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.54 -56.41 20.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.16 38.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -70.11 -31.21 68.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 59.3 tttt -57.68 -49.23 77.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.7 mt -63.58 -37.63 88.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.548 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -64.73 -59.49 4.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' A' ' 81' ' ' LEU . 40.1 t -51.34 -35.78 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.52 -40.12 93.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.6 mt -73.27 -52.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' A' ' 78' ' ' VAL . 32.2 mt -42.42 -56.96 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -35.73 -34.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 81' ' ' LEU . 8.4 t-20 -102.03 -28.42 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' LEU . 2.5 mm-40 53.44 35.34 20.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.42 ' CG ' ' O ' ' A' ' 85' ' ' ASN . 20.9 t-20 52.66 43.33 31.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -104.69 94.76 5.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.8 m -57.33 146.77 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -86.08 82.82 7.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 46.5 t -158.37 148.7 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -87.08 90.74 8.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.5 p -102.15 130.32 48.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.16 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -75.97 128.31 34.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -168.21 -158.16 11.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 166.33 27.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 41.3 t -107.34 -49.08 3.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.7 p 45.29 39.91 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -58.73 134.35 56.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 0.0 110.865 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.4 m -62.32 -56.39 18.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.39 137.25 25.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.466 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.6 m -71.56 134.77 46.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 t -103.58 128.51 50.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.59 -111.3 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -89.98 -53.85 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.44 143.44 40.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.9 p -93.46 147.95 22.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 9.5 p-10 -105.77 82.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 9.8 m -103.45 136.61 19.19 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.541 0.686 . . . . 0.0 111.159 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.8 96.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 51.04 76.95 0.15 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.54 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -90.9 -54.07 4.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -66.02 -51.31 59.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 77.2 mtp -42.93 -42.73 3.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.96 -39.74 90.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.466 ' HE3' HG11 ' A' ' 78' ' ' VAL . 22.3 mtmt -62.55 -43.85 97.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 20' ' ' LEU . 12.2 mt -50.54 -54.21 24.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -52.37 -60.22 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -45.59 -21.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.702 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.4 t80 -93.63 -34.79 13.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.8 ptt85 -70.1 -30.38 67.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -84.66 -26.4 27.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 39.2 ttp -78.14 -57.35 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.702 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 45.3 m-70 -72.37 -35.46 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.51 48.2 2.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.591 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.3 m -113.52 177.58 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 111.089 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.19 111.16 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG23 ' CG1' ' A' ' 51' ' ' VAL . 4.0 mt -97.96 130.65 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -129.24 136.16 49.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -105.28 105.33 15.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -86.24 122.97 30.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -80.39 110.18 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 HG22 ' A' ' 48' ' ' THR . 43.6 mt -85.78 168.69 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.2 t -68.22 -174.96 0.55 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' ' 45' ' ' ARG . 20.1 m -110.61 141.75 43.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.3 t -137.7 135.02 36.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.68 -168.15 25.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 169.51 18.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.65 8.89 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.715 2.277 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.483 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 45.2 p-80 -73.49 -48.65 31.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.483 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.2 t0 -107.49 115.07 29.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 38' ' ' THR . 19.1 mmt85 -106.61 119.94 40.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.0 mmt-85 -97.42 114.29 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.518 ' CD1' ' HE2' ' A' ' 66' ' ' LYS . 27.2 m-85 -87.35 115.68 24.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.853 HG22 HD12 ' A' ' 36' ' ' LEU . 10.7 m -87.61 148.1 24.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -144.56 165.45 27.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -155.46 146.92 22.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 31' ' ' ILE . 69.1 t -108.04 152.95 9.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.3 mp -131.26 110.17 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.2 mt -111.5 124.2 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.0 t70 59.25 45.58 13.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 61.89 26.1 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -101.56 148.12 25.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -105.2 108.45 19.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.58 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.4 m-85 -89.45 158.05 46.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.654 0.74 . . . . 0.0 110.85 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.79 106.54 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.6 pm0 -45.79 172.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.31 158.76 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.067 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 mttt -97.74 143.55 28.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -146.22 135.32 5.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 64' ' ' ARG . 8.4 ttp-105 -38.51 -56.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -116.28 164.79 13.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.518 ' HE2' ' CD1' ' A' ' 47' ' ' PHE . 15.8 mmtt -43.69 -54.77 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 70' ' ' ARG . 4.9 mt-30 -61.26 -63.77 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 67' ' ' GLN . 3.7 tp10 -35.4 -39.06 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.65 -49.32 77.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' GLN . 84.2 mtt180 -49.75 -43.35 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.61 -42.33 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.43 -48.83 76.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.58 -35.44 70.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.29 -33.81 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -52.73 -47.29 67.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 59' ' ' PRO . 17.5 mt -66.36 -37.38 85.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -67.99 -64.53 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 ' HE3' ' A' ' 19' ' ' LYS . 68.1 t -45.54 -39.83 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.24 85.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -70.01 -48.03 65.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 83' ' ' ASN . 40.1 mt -49.71 -52.45 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 82' ' ' ASP . 0.2 OUTLIER -39.64 -27.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 81' ' ' LEU . 15.1 t-20 -108.28 -28.35 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' C ' ' HE3' ' A' ' 86' ' ' LYS . 21.1 mt-10 54.99 37.03 28.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -92.32 79.48 5.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' HE3' ' C ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -70.31 87.08 0.61 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m -78.12 148.13 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -47.75 129.5 14.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 25.2 p -128.65 -41.35 1.51 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -48.63 164.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -79.65 127.61 32.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.0 m -134.7 166.61 22.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.93 -93.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.26 18.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.7 p -64.34 102.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -54.3 -50.64 66.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t 50.33 41.94 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.9 0.381 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.4 t -111.54 96.25 5.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.06 171.19 23.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 p -115.67 169.88 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -48.79 123.87 7.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.91 77.45 0.3 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.486 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.8 tpt -123.56 84.38 2.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.792 0.329 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.27 160.96 17.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.2 p -90.86 141.35 28.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -83.02 51.45 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.1 m -149.31 136.91 11.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.579 0.704 . . . . 0.0 111.138 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.9 Cg_endo -69.79 -7.13 20.29 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.707 2.272 . . . . 0.0 112.343 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.08 76.01 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -84.96 -51.76 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.43 ' O ' ' N ' ' A' ' 19' ' ' LYS . 18.4 m-85 -68.6 -56.69 7.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.3 mtp -41.95 -41.58 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.27 -36.7 84.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.633 ' HE3' HG11 ' A' ' 78' ' ' VAL . 33.7 mtmt -64.3 -39.87 94.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.49 -53.63 55.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -54.7 -41.2 69.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.3 mttt -62.14 -22.22 65.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 30.4 t80 -94.93 -36.82 11.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.576 ' HA ' HG22 ' A' ' 29' ' ' VAL . 20.3 ptt85 -62.91 -35.56 80.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -83.94 -18.91 35.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.0 mmm -81.22 -46.99 14.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.7 m-70 -86.51 -38.02 17.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.6 44.44 1.81 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 24' ' ' ARG . 19.2 m -109.04 172.97 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.372 . . . . 0.0 111.121 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.96 113.01 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' CG1' ' A' ' 51' ' ' VAL . 7.9 mt -99.53 129.72 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -129.74 128.15 41.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD2' HG22 ' A' ' 51' ' ' VAL . 9.9 m-85 -97.68 103.86 15.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -83.84 132.39 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -89.15 117.61 28.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.692 HD12 HG22 ' A' ' 48' ' ' THR . 13.8 mt -93.9 173.79 7.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.0 t -74.65 173.91 9.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 46' ' ' ARG . 24.6 m -96.87 136.03 38.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.3 m -132.58 120.9 22.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.29 -168.02 33.54 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.453 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.73 168.84 20.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.346 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 44' ' ' ASP . 54.1 p-80 -60.22 -51.22 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 43' ' ' HIS . 2.7 t70 -108.86 115.19 29.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.7 mmt85 -101.53 118.79 37.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 38' ' ' THR . 19.3 mmt85 -95.36 119.46 33.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -89.13 125.31 34.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.692 HG22 HD12 ' A' ' 36' ' ' LEU . 31.1 m -96.48 144.12 26.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -142.09 161.04 38.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -152.63 149.25 28.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG22 ' CD2' ' A' ' 33' ' ' TYR . 97.2 t -109.48 153.77 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.36 110.76 11.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.613 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.4 mt -113.63 131.5 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t0 54.09 43.65 30.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.871 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 62.58 24.99 14.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -102.26 146.48 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -102.64 108.71 20.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.613 ' CE1' HD12 ' A' ' 53' ' ' ILE . 34.3 m-85 -89.11 158.31 46.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.674 0.749 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 110.39 2.54 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.329 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 36' ' ' LEU . 3.7 pm0 -49.08 178.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.26 156.86 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.4 mttt -99.19 142.53 30.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.59 133.9 4.64 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 14.7 ttp-105 -44.57 -51.56 8.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.4 t -109.33 164.28 12.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -53.7 -47.64 70.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -60.87 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 14.4 tt0 -41.45 -39.77 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.81 -46.8 87.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.3 mtt85 -57.0 -45.66 82.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -59.08 -40.9 86.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -58.76 -65.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.86 -33.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.66 -36.29 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.4 tttt -53.39 -46.56 69.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.37 -36.0 76.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.87 -62.86 1.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.094 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.633 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.4 t -47.96 -41.37 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -56.62 -44.99 81.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 62.3 mt -66.19 -43.07 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.7 mt -61.19 -40.93 95.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.49 -37.36 86.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.31 -34.07 77.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -56.9 -25.51 57.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 86' ' ' LYS . 4.5 t-20 -100.79 76.89 1.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 85' ' ' ASN . 32.6 ttpt -36.08 124.91 0.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.15 139.21 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -76.92 99.27 5.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 23.5 m -149.54 126.61 11.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -64.97 109.68 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.1 t -151.34 141.13 21.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.1 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 m -45.75 -57.97 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 91.24 72.05 1.23 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.539 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.54 1.18 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.9 t -66.25 166.56 11.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.7 p -144.04 175.36 10.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.491 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -68.54 136.14 52.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -89.52 112.37 23.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.92 -121.99 1.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.461 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 55.57 43.48 28.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -95.0 -53.11 3.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.21 146.28 5.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -109.32 157.21 19.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.97 -44.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 12' ' ' THR . 2.0 m -113.33 -62.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 10' ' ' SER . 2.6 m-20 36.68 32.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.6 m -65.2 136.59 96.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.574 0.702 . . . . 0.0 111.149 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.73 -2.73 10.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.379 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.423 ' HA2' ' ND2' ' A' ' 71' ' ' ASN . . . 161.77 80.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -89.85 -50.57 5.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -63.71 -50.92 67.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.97 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.2 mtp -46.93 -33.72 4.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -78.02 -34.44 50.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' HE3' HG11 ' A' ' 78' ' ' VAL . 38.7 mtmt -65.47 -32.33 73.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD22 HD13 ' A' ' 31' ' ' ILE . 10.5 mt -67.55 -63.41 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -50.01 -25.61 3.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -78.54 -29.63 46.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.618 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.1 t80 -88.64 -26.29 21.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.566 ' HA ' HG22 ' A' ' 29' ' ' VAL . 21.5 ptt85 -68.74 -40.27 79.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.13 -21.27 43.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 29.6 mmm -76.83 -43.43 36.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 20.7 m-70 -90.7 -47.32 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.92 38.95 1.0 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.424 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 24' ' ' ARG . 18.3 m -103.4 174.97 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.176 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -115.37 111.12 20.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.563 HD13 HD22 ' A' ' 20' ' ' LEU . 16.8 mt -99.12 128.03 51.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.1 m -131.31 134.16 46.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -103.0 103.79 13.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -86.48 139.21 31.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -97.43 126.19 42.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.7 mt -102.92 174.53 5.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -69.13 -177.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 45' ' ' ARG . 10.0 m -103.52 116.76 32.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -108.65 118.5 36.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 156.16 -172.42 34.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.79 169.16 19.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.37 2.72 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.533 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 14.9 p-80 -66.16 -48.33 71.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -109.01 115.36 29.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.637 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.2 mmt180 -102.89 124.29 48.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' THR . 20.5 mmt85 -104.17 123.67 47.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -88.68 119.16 28.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 71.5 m -93.74 146.0 24.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -144.1 165.58 27.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -155.32 157.09 36.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' A' ' 52' ' ' LEU . 57.0 t -115.96 154.07 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' ' CG1' ' A' ' 51' ' ' VAL . 5.3 mp -131.35 115.41 16.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.622 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 6.2 mt -120.56 124.57 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.2 t0 60.18 41.89 16.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 63.76 24.92 13.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.945 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 28.1 ttmt -104.92 134.8 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -92.44 112.14 23.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 26.8 m-85 -89.29 158.9 45.71 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.67 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 21.8 pm0 -48.0 176.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -155.17 160.8 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -99.89 148.16 24.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.54 138.09 6.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.457 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -42.34 -57.09 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.4 p -114.68 157.88 22.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -40.64 -42.96 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -69.57 -48.82 58.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -53.44 -35.19 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.7 -52.24 58.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -51.26 -43.54 61.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.423 ' ND2' ' HA2' ' A' ' 14' ' ' GLY . 8.2 t-20 -61.59 -56.38 20.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.9 -47.55 52.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.7 79.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.4 -30.19 68.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -54.43 -49.94 68.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.96 -34.59 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.99 -61.35 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.584 HG11 ' HE3' ' A' ' 19' ' ' LYS . 43.8 t -52.12 -35.16 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -60.52 -45.46 93.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.3 mt -64.15 -54.66 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 83' ' ' ASN . 30.9 mt -46.17 -53.51 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 81' ' ' LEU . 34.9 t70 -37.37 -30.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.4 m120 -106.02 -29.53 9.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 50.04 26.94 2.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -114.67 47.1 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -86.51 106.65 17.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.98 137.88 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -77.68 143.94 37.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 97.7 m -89.68 -46.32 8.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -136.04 130.8 34.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.5 t -57.84 156.18 9.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.1 t -168.89 168.12 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.62 -160.46 18.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -24.2 29.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.7 p -44.08 -60.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.81 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 m -99.8 88.03 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.548 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -84.94 -47.84 9.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.895 0.379 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -70.99 124.5 24.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.09 -104.92 2.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.0 p -59.37 98.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 p -128.9 84.16 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' SD ' ' A' ' 8' ' ' MET . . . 52.76 40.51 56.67 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.498 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 36.88 41.8 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 0.0 110.891 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.34 118.48 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -113.46 154.8 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -107.04 84.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.669 HG23 ' HD2' ' A' ' 13' ' ' PRO . 95.5 m -114.98 138.96 23.7 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.609 0.718 . . . . 0.0 111.131 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.3 Cg_endo -69.79 79.99 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.4 67.47 1.61 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -67.96 -49.51 61.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' LYS . 41.5 m-85 -60.59 -59.29 5.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' TYR . 87.8 mtp -37.57 -40.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -66.61 -42.99 85.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HE3' HG11 ' A' ' 78' ' ' VAL . 39.1 mtmt -58.21 -36.53 73.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD22 HD13 ' A' ' 31' ' ' ILE . 10.9 mt -60.01 -62.44 1.87 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -50.71 -47.38 59.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -55.16 -22.16 16.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.757 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 33.9 t80 -94.93 -38.83 10.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.695 ' HA ' HG22 ' A' ' 29' ' ' VAL . 17.8 ptt85 -63.65 -35.77 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -82.57 -16.52 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 47.1 ttp -88.89 -62.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 12.8 m-70 -68.43 -45.62 72.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.71 49.68 0.68 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.505 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' A' ' 24' ' ' ARG . 26.9 m -116.76 167.31 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.47 115.63 30.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.63 HD13 HD22 ' A' ' 20' ' ' LEU . 1.5 mt -102.85 127.19 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.1 m -128.6 132.12 48.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.522 ' CD2' HG22 ' A' ' 51' ' ' VAL . 22.1 m-85 -102.45 103.86 14.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -83.2 130.61 35.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -88.42 104.95 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.791 HD12 HG22 ' A' ' 48' ' ' THR . 31.6 mt -78.01 -177.48 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -81.47 -179.3 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 m -108.84 117.64 34.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 t -112.98 148.06 35.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.824 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.5 -176.25 18.95 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 169.65 18.49 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -37.97 8.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 36.8 p-80 -68.33 -52.59 31.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.534 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 2.8 t70 -109.15 115.18 29.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 -102.28 128.54 48.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -106.31 119.43 39.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.472 ' CG ' ' HD3' ' A' ' 66' ' ' LYS . 23.8 m-85 -89.41 114.51 25.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.791 HG22 HD12 ' A' ' 36' ' ' LEU . 6.3 m -89.38 142.94 27.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -142.65 164.88 28.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -157.0 151.78 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.522 HG22 ' CD2' ' A' ' 33' ' ' TYR . 86.3 t -113.73 153.85 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.25 111.57 12.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.712 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.5 mt -113.39 127.1 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 t70 56.8 46.33 20.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 60.89 25.28 15.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -102.34 146.92 27.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -103.72 110.7 22.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.712 ' CE1' HD12 ' A' ' 53' ' ' ILE . 39.0 m-85 -90.55 157.9 43.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 109.83 2.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -50.26 -178.35 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.24 160.41 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -99.7 149.92 22.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -151.76 128.82 2.65 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -38.21 -58.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.803 0.335 . . . . 0.0 110.86 -179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.7 m -102.18 149.1 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -42.88 -48.93 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -67.74 -50.04 59.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -46.56 -38.66 9.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.04 91.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -53.01 -44.96 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -59.3 -51.65 69.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.84 -56.97 12.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.14 -38.72 18.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.2 -35.45 78.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -51.5 -50.78 59.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.69 -36.87 84.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.544 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.07 -60.52 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.704 HG11 ' HE3' ' A' ' 19' ' ' LYS . 97.6 t -50.21 -37.34 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.068 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -58.45 -43.92 89.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 81' ' ' LEU . 32.8 mt -68.02 -60.16 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.102 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 80' ' ' ILE . 46.6 mt -34.64 -52.38 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -41.17 -49.03 3.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -82.73 -30.23 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 47.46 25.22 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -126.12 93.02 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -66.16 135.18 54.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -59.04 176.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -93.5 52.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 77.1 m -128.11 144.27 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -112.39 177.81 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.34 161.76 40.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.1 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 63.7 p -112.24 161.79 16.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.71 83.42 1.34 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -20.9 34.09 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.2 p -142.79 149.57 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.4 t -148.71 158.49 44.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 -179.937 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -148.62 168.0 23.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 t -87.82 41.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.93 124.76 2.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -128.13 128.06 44.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -70.39 122.18 19.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.31 117.83 6.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpp -174.79 131.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.73 112.31 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.3 m -139.87 -177.38 4.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -95.7 32.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.815 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 1.4 m -41.93 136.69 2.1 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.574 0.702 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.79 -30.69 21.71 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.57 84.66 0.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.435 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -91.19 -63.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LYS . 36.1 m-85 -67.36 -50.41 59.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 68.3 mtp -45.42 -28.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.6 -31.7 32.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 16' ' ' TYR . 35.0 mtmt -71.87 -35.21 69.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.643 HD22 HD13 ' A' ' 31' ' ' ILE . 8.8 mt -58.12 -56.37 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -51.4 -57.6 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -47.99 -21.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 21.5 t80 -93.97 -36.7 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.603 ' HA ' HG22 ' A' ' 29' ' ' VAL . 24.1 ptt85 -67.76 -36.72 81.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.97 -14.91 58.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 50.6 ttp -88.55 -55.74 3.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.842 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 38.2 m-70 -75.73 -36.75 59.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.51 46.85 1.91 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.603 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.6 m -113.49 165.24 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.74 113.05 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.643 HD13 HD22 ' A' ' 20' ' ' LEU . 2.7 mt -98.53 128.73 49.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -128.22 133.0 48.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -100.99 105.68 16.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -87.11 128.84 35.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -85.8 127.47 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 48' ' ' THR . 10.5 mt -107.73 163.38 13.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 m -63.15 176.45 0.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 46' ' ' ARG . 23.1 m -102.87 138.47 39.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.147 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.4 p -130.2 129.91 44.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.83 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.07 -173.25 26.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.583 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.75 169.71 18.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.717 2.278 . . . . 0.0 112.326 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.95 2.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 7.5 p-80 -62.98 -55.01 29.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.2 m-20 -109.01 115.18 29.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HB3' HG21 ' A' ' 38' ' ' THR . 11.1 mmt180 -100.81 134.6 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.539 ' O ' HG23 ' A' ' 38' ' ' THR . 66.6 mmt-85 -113.27 117.95 33.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.38 127.01 36.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 36' ' ' LEU . 19.1 m -98.19 146.23 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -144.14 164.11 31.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -155.14 145.21 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 52' ' ' LEU . 91.5 t -104.41 154.59 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.24 110.83 11.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.442 HD11 ' CD2' ' A' ' 20' ' ' LEU . 18.7 mt -114.34 137.26 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.5 t0 49.62 42.02 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 61.23 34.57 18.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -112.56 140.1 47.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -95.55 107.14 19.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 31.7 m-85 -86.51 158.58 54.27 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.693 0.758 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.5 Cg_endo -69.8 108.39 2.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -47.98 176.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.81 157.16 38.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.081 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -95.78 147.5 23.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.75 140.34 8.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -45.26 -60.49 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.424 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 22.8 t -107.07 163.82 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -47.13 -58.4 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -59.15 -51.08 71.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -45.46 -40.15 7.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.29 86.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -52.64 -42.92 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -61.63 -53.39 56.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.93 -57.11 11.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.61 -41.36 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.99 -34.99 79.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -51.87 -47.01 64.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.3 mt -65.82 -40.79 92.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.549 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.39 -64.38 0.88 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' HE3' ' A' ' 19' ' ' LYS . 58.8 t -46.49 -37.11 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -60.43 -40.77 92.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.5 mt -70.94 -45.03 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.0 mt -51.31 -53.25 37.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.25 -45.94 82.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -51.71 -32.93 32.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.83 -26.58 64.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -116.6 84.27 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.04 146.08 26.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.8 153.16 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.08 -51.12 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 58.6 m -77.45 84.37 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 177.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.6 t -78.05 143.5 37.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 m -50.24 -62.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.88 83.42 1.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 143.82 51.88 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.7 t -169.61 126.99 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.9 p -63.17 110.94 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -113.22 157.14 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.876 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -124.32 90.14 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.822 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.34 108.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -137.68 153.89 49.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 p -84.57 167.41 16.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.68 55.7 28.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -57.83 115.07 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.02 170.0 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 m -83.8 133.83 34.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -127.11 88.5 2.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.48 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 2.4 m -63.57 136.43 96.71 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.77 -0.27 6.67 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.653 2.235 . . . . 0.0 112.347 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.54 81.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -87.57 -64.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -63.87 -48.02 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 85.1 mtp -49.66 -31.85 11.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.53 -31.07 53.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' HG11 ' A' ' 78' ' ' VAL . 32.5 mtmt -70.5 -32.05 69.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.469 HD22 HD13 ' A' ' 31' ' ' ILE . 11.4 mt -67.19 -55.63 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -52.85 -54.66 31.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -50.55 -21.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.73 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 18.1 t80 -94.52 -36.59 11.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -67.06 -41.4 86.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -75.13 -20.33 59.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 60.9 ttp -86.44 -54.94 4.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 19.2 m-70 -72.17 -40.98 67.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.91 45.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.5 m -115.93 158.09 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.098 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.5 110.87 23.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.469 HD13 HD22 ' A' ' 20' ' ' LEU . 4.2 mt -99.3 130.69 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.0 m -130.5 129.55 43.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -92.32 103.75 16.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.928 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HB2' ' CD1' ' A' ' 52' ' ' LEU . 21.8 tptt -74.58 136.64 42.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.25 100.93 12.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.654 HD12 HG22 ' A' ' 48' ' ' THR . 6.7 mt -83.81 162.28 20.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -67.0 -177.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -96.74 139.69 32.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.117 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.1 m -134.97 125.91 27.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 149.28 -171.04 29.53 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.546 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.78 169.95 17.74 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.306 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.56 4.21 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.546 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 12.5 p-80 -67.26 -54.07 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 1.3 m-20 -109.08 115.26 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.4 mmt85 -103.31 124.93 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt85 -103.71 121.04 42.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -86.05 124.14 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.654 HG22 HD12 ' A' ' 36' ' ' LEU . 17.7 m -94.27 142.08 27.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 20.2 m-85 -142.55 165.69 26.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -163.23 142.4 8.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 31' ' ' ILE . 70.9 t -95.73 154.48 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.2 mp -131.37 110.2 10.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.755 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.1 mt -113.8 138.47 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 45.48 45.28 10.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 60.93 29.0 18.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.5 tttp -105.32 135.88 45.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -94.54 110.27 22.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.755 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.2 m-85 -86.47 158.87 54.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.655 0.74 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.75 102.13 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.744 2.296 . . . . 0.0 112.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -44.97 170.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.19 164.5 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -98.07 146.74 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.73 131.73 3.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.4 -52.62 1.55 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 110.868 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.8 p -122.7 161.11 24.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 29.3 mmtt -42.52 -47.55 5.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.938 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' OE1' ' C ' ' A' ' 67' ' ' GLN . 1.7 tm0? -67.46 -52.61 37.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.8 -32.66 14.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.416 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -69.67 -43.92 71.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -54.61 -45.67 73.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.79 -51.98 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.31 -42.31 69.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.08 84.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 41.9 tttt -56.02 -49.63 73.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 59' ' ' PRO . 19.2 mt -64.7 -36.59 84.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.45 -60.21 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.053 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.442 HG11 ' HE3' ' A' ' 19' ' ' LYS . 88.9 t -50.06 -36.25 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -61.13 -43.54 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.3 mt -66.84 -50.65 63.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 78' ' ' VAL . 37.5 mt -45.75 -53.68 9.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -43.57 -51.4 6.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -68.78 -32.13 71.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -24.6 48.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -125.78 83.27 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -44.74 117.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.25 147.86 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -88.61 147.17 24.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.534 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 86.1 m -86.19 141.16 29.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 89' ' ' CYS . 12.3 m80 -172.0 131.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 p -109.78 139.08 45.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.153 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 29.1 m -69.77 -60.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 159.56 147.36 4.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -10.48 28.65 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 t -41.24 125.89 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -77.04 171.29 15.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.492 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.5 t -141.3 123.78 15.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.363 . . . . 0.0 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.5 p -49.42 -37.15 24.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.8 140.76 6.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -134.9 111.23 9.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -47.7 -54.02 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.18 -107.45 2.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 tpt 49.75 42.21 23.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.2 97.51 5.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 t -97.35 174.26 6.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -91.77 77.22 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.441 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 4.7 m -82.05 135.48 48.04 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.534 0.683 . . . . 0.0 111.162 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 54.0 Cg_endo -69.78 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.09 68.6 0.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -87.07 -69.89 0.65 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -48.0 -50.13 28.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 93.7 mtp -48.51 -35.19 12.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.35 -31.49 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HE3' HG11 ' A' ' 78' ' ' VAL . 40.9 mtmt -70.3 -30.36 67.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 31' ' ' ILE . 17.9 mt -69.52 -58.17 4.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -52.02 -31.07 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -75.06 -23.45 58.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.613 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 5.3 t80 -94.84 -27.18 15.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.947 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.557 ' HA ' HG22 ' A' ' 29' ' ' VAL . 26.6 ptt85 -68.53 -36.33 78.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -76.96 -38.73 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.9 tmm? -62.27 -61.44 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.613 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.2 m-70 -69.62 -40.06 76.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.89 45.35 2.26 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.0 m -106.71 -177.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.19 111.43 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.051 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 20' ' ' LEU . 9.2 mt -99.05 129.43 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -130.9 130.81 44.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.411 ' CD2' HG22 ' A' ' 51' ' ' VAL . 12.3 m-85 -100.75 104.1 15.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -85.3 135.04 34.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -93.25 117.1 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 48' ' ' THR . 15.6 mt -92.63 177.83 5.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.8 t -71.35 -176.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -109.59 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 t -129.76 151.23 50.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 126.64 -174.01 18.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.8 169.97 17.71 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.312 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -46.43 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.673 2.249 . . . . 0.0 112.316 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.556 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.4 p-80 -60.28 -55.43 33.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.472 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 9.4 t70 -108.98 115.19 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -101.07 130.87 47.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -107.85 119.43 39.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.454 ' CD1' ' HE3' ' A' ' 66' ' ' LYS . 14.7 m-85 -89.34 123.82 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 36' ' ' LEU . 12.1 m -93.08 140.92 28.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.088 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -141.0 161.33 38.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -151.25 152.53 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 31' ' ' ILE . 96.6 t -112.93 152.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.5 mp -131.16 111.84 12.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.537 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 10.5 mt -113.58 123.49 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.1 t0 60.79 43.01 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.86 29.52 14.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -104.61 148.55 26.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -105.93 105.95 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CZ ' HD12 ' A' ' 53' ' ' ILE . 43.9 m-85 -86.91 157.84 54.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.692 0.758 . . . . 0.0 110.84 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.534 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.4 Cg_endo -69.83 105.78 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.63 2.22 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.08 174.72 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.83 158.06 41.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -97.6 148.39 23.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.09 159.35 28.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -64.55 -51.32 63.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.798 0.332 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -117.84 156.93 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HE3' ' CD1' ' A' ' 47' ' ' PHE . 27.1 mmtp -40.18 -49.79 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -68.45 -53.84 20.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -43.96 -38.81 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.48 73.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -46.35 -46.56 18.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.08 -49.69 74.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.47 -47.21 66.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.43 86.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.44 80.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 19.8 tttm -50.15 -51.16 45.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.534 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.4 mt -63.41 -38.18 90.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.528 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.62 -63.69 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.108 179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.5 t -49.39 -46.23 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.49 -36.49 66.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.0 mt -71.91 -56.06 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' ASP . 38.2 mt -42.43 -53.34 4.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 81' ' ' LEU . 7.0 t70 -36.42 -38.79 0.17 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -98.25 -29.27 13.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 56.95 42.47 26.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -75.44 66.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -57.5 143.95 38.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 87' ' ' VAL . 26.8 m -36.44 121.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.16 145.08 54.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 26.7 p -124.88 175.14 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -97.82 108.79 21.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -97.83 112.95 24.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 t -82.25 114.72 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.18 163.21 21.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' SER . 53.4 Cg_endo -69.74 2.34 3.62 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.729 2.286 . . . . 0.0 112.344 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 94' ' ' PRO . 20.4 m -37.14 117.96 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.8 m -85.37 -53.02 5.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.506 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -127.72 165.7 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.364 . . . . 0.0 110.866 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -114.64 158.58 21.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.37 -152.1 17.53 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -78.0 126.2 30.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.973 0.416 . . . . 0.0 110.842 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 p -125.23 135.09 52.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.73 124.58 5.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpp -173.27 151.6 2.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.74 0.305 . . . . 0.0 110.873 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.81 142.0 28.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -127.5 156.72 41.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -121.31 85.67 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.473 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 7.0 m -98.11 136.51 20.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.77 -50.44 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 0.0 112.333 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.86 69.12 0.5 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.98 -54.12 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.42 -41.43 98.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 74.8 mtp -52.95 -27.85 20.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -75.06 -37.49 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.811 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -68.65 -26.98 65.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 HD13 ' A' ' 31' ' ' ILE . 12.5 mt -65.83 -60.29 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -50.35 -44.99 54.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -59.59 -22.48 61.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 21.9 t80 -94.98 -32.05 13.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.556 ' HA ' HG22 ' A' ' 29' ' ' VAL . 7.2 ptt85 -71.68 -29.04 64.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -84.16 -29.69 26.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 8.6 mtt -77.19 -57.77 3.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.556 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.1 m-70 -71.33 -31.81 67.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.35 48.09 3.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 24' ' ' ARG . 16.7 m -113.41 171.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.33 117.05 32.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.718 HD13 HD22 ' A' ' 20' ' ' LEU . 4.3 mt -103.69 125.14 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -127.33 129.77 48.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 51' ' ' VAL . 6.4 m-85 -99.45 106.81 18.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -87.34 143.64 27.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -99.95 119.66 38.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 48' ' ' THR . 7.7 mt -97.0 -178.31 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -76.22 178.06 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 46' ' ' ARG . 30.4 m -104.95 125.58 51.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -120.06 146.03 46.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 134.7 -171.45 22.34 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.592 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.72 168.6 21.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.82 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 13.6 p-80 -61.43 -51.97 66.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.823 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.36 115.17 29.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 38' ' ' THR . 15.1 mmt180 -102.13 122.45 44.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' O ' HG23 ' A' ' 38' ' ' THR . 21.0 mmt85 -102.56 123.57 46.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -89.79 126.31 35.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.537 HG22 HD12 ' A' ' 36' ' ' LEU . 88.6 m -97.96 144.83 27.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -142.52 168.24 20.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.7 pt20 -155.74 156.38 34.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.474 ' CG1' HG23 ' A' ' 31' ' ' ILE . 75.7 t -117.06 153.78 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.2 112.18 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.592 HD12 ' CE1' ' A' ' 58' ' ' PHE . 9.1 mt -114.3 118.28 58.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.2 t0 65.03 45.97 2.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 60.96 24.99 15.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 36.6 tttp -102.0 142.67 32.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -100.1 108.55 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 53' ' ' ILE . 35.3 m-85 -88.31 158.06 49.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.669 0.747 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.657 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.73 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.61 -179.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -160.6 158.52 29.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -96.5 143.33 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.92 131.48 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 63' ' ' GLY . 55.9 mtp180 -35.42 -60.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -110.13 171.92 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.01 -43.76 70.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 tp60 -71.24 -46.68 60.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -50.76 -35.87 33.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -53.28 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -49.92 -44.6 50.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -64.43 -43.87 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.89 -54.86 36.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.63 -32.43 18.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -75.08 -26.19 59.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 71.6 tttt -60.74 -45.5 94.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.657 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.2 mt -66.48 -38.15 86.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.547 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -68.25 -62.19 1.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 74' ' ' ALA . 99.1 t -45.64 -36.42 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -62.79 -47.65 82.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 19.7 mt -61.81 -50.43 80.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -46.48 -52.7 12.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -45.88 -48.83 15.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.4 -32.25 69.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -60.94 -23.13 65.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -60.86 -48.06 83.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -85.41 120.05 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.0 148.86 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -146.58 153.5 40.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 28.7 p -96.57 40.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -80.79 -44.37 18.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.5 p -71.45 115.2 10.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 4.3 m -76.28 132.61 39.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 168.74 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -29.89 23.17 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.657 2.238 . . . . 0.0 112.38 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 t -100.31 109.27 21.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 64.9 p -42.64 109.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.3 m -128.11 104.19 7.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -112.63 92.78 4.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.72 48.86 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -55.96 154.97 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -57.34 153.96 11.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.79 -92.36 0.41 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -122.68 -33.5 3.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.77 122.34 21.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.1 p -63.34 165.53 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -174.5 112.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.489 HG23 ' HD2' ' A' ' 13' ' ' PRO . 92.6 m -87.43 134.23 36.63 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.598 0.714 . . . . 0.0 111.13 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.489 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.4 Cg_endo -69.76 81.62 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.33 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.46 63.02 1.98 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -62.85 -51.12 68.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.923 0.392 . . . . 0.0 110.913 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 40.7 m-85 -64.21 -52.69 57.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.5 mtp -40.33 -47.88 2.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.58 -38.74 92.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.651 ' HE3' HG11 ' A' ' 78' ' ' VAL . 37.0 mtmt -62.49 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD22 HD13 ' A' ' 31' ' ' ILE . 11.8 mt -55.23 -59.3 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -52.9 -33.47 50.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -70.5 -23.17 62.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.79 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 13.0 t80 -94.88 -33.46 12.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.764 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.4 ptt180 -63.3 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -87.69 -40.57 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 20.4 ttm -61.5 -52.85 62.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.79 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 23.0 m-70 -78.22 -47.22 18.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 47.8 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.8 m -114.25 167.36 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 111.113 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.79 110.42 21.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 HD22 ' A' ' 20' ' ' LEU . 31.2 mt -92.32 135.23 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 80.2 m -133.2 128.91 36.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.546 ' CD2' HG22 ' A' ' 51' ' ' VAL . 34.2 m-85 -103.02 103.82 13.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -85.35 123.37 30.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.8 118.32 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.78 HD12 HG22 ' A' ' 48' ' ' THR . 58.8 mt -92.56 168.27 11.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.8 m -73.35 167.41 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.542 HG21 ' HB3' ' A' ' 45' ' ' ARG . 7.2 m -93.85 145.66 24.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.4 m -140.81 135.24 31.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.859 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.87 -170.04 24.17 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.8 Cg_endo -69.74 169.86 17.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.357 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -42.88 2.97 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.6 p-80 -66.96 -52.0 48.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 15.0 t0 -109.11 115.24 29.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.542 ' HB3' HG21 ' A' ' 38' ' ' THR . 16.4 mmt180 -110.54 127.92 55.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.9 mmt180 -101.3 115.79 31.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -86.1 120.32 27.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.78 HG22 HD12 ' A' ' 36' ' ' LEU . 5.4 m -95.52 144.7 25.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -145.44 168.85 19.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.548 ' OE1' HD21 ' A' ' 36' ' ' LEU . 8.4 pt20 -158.12 147.76 19.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG22 ' CD2' ' A' ' 33' ' ' TYR . 47.2 t -109.33 154.5 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.31 113.13 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.589 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.5 mt -114.13 124.78 71.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t0 59.88 43.66 14.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 61.52 34.66 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 21.7 ttmt -110.59 149.3 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -104.55 108.57 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CE1' HD12 ' A' ' 53' ' ' ILE . 42.2 m-85 -89.13 158.26 46.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.693 0.758 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 108.53 2.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.725 2.283 . . . . 0.0 112.37 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.494 ' CD ' ' C ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -48.74 178.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -162.42 158.42 23.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -95.12 145.33 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -141.1 130.8 4.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLY . 19.4 ttp180 -34.63 -59.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.833 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -111.75 171.57 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -51.84 -39.73 59.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -74.89 -53.51 8.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -42.83 -38.55 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.18 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.6 mtt85 -52.82 -44.7 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -66.1 -49.0 69.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -46.93 -37.42 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.46 -37.75 85.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.089 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 81.3 tttt -49.26 -48.27 45.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 31.1 mt -67.29 -34.99 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -66.28 -63.59 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.651 HG11 ' HE3' ' A' ' 19' ' ' LYS . 63.3 t -46.68 -41.52 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t0 -52.83 -49.22 66.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.44 HG21 ' HG3' ' A' ' 86' ' ' LYS . 24.3 mt -63.3 -48.08 89.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 53' ' ' ILE . 21.9 mt -57.29 -43.91 83.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -42.4 -33.55 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -106.48 -28.13 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 51.29 33.93 10.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -100.41 45.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' HG3' HG21 ' A' ' 80' ' ' ILE . 23.9 mmtm -114.96 137.92 51.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.8 p -79.82 143.97 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -78.18 154.4 31.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 26.7 p -68.73 121.85 17.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.481 ' CE1' ' OG1' ' A' ' 91' ' ' THR . 4.0 p80 -74.33 -40.44 62.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.881 HG22 ' H ' ' A' ' 93' ' ' GLY . 31.9 m -113.74 143.36 44.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 p -79.23 0.19 29.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.881 ' H ' HG22 ' A' ' 91' ' ' THR . . . 77.85 -176.35 53.89 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.53 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 172.1 13.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.721 2.281 . . . . 0.0 112.351 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.0 p -43.86 159.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.5 p -73.8 148.24 42.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.6 p -97.35 169.2 9.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -130.17 128.8 42.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.51 -69.45 0.17 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -165.53 160.85 18.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.806 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -117.5 174.25 6.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.32 -49.62 0.91 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.9 mtt -127.62 44.53 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.332 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -152.36 153.46 33.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.9 p -145.04 165.96 26.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -163.16 108.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -140.12 137.18 17.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.556 0.693 . . . . 0.0 111.141 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD2' HG22 ' A' ' 12' ' ' THR . 53.4 Cg_endo -69.82 -10.16 27.85 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.629 2.22 . . . . 0.0 112.341 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 169.3 77.55 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -81.17 -58.49 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.07 -48.2 82.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.2 mtp -47.57 -34.76 8.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.2 -34.58 70.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.9 mtmt -70.12 -36.71 75.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.01 -55.55 31.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -56.1 -37.36 69.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -69.81 -22.68 63.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 11.5 t80 -95.08 -28.39 15.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.622 ' HA ' HG22 ' A' ' 29' ' ' VAL . 18.0 ptt85 -70.2 -30.01 67.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 26' ' ' MET . 11.6 pt20 -88.09 -35.89 17.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 8.6 mtm -66.48 -47.52 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 27.0 m-70 -81.5 -47.56 12.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.79 52.46 0.66 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.3 m -120.22 176.94 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.69 111.83 19.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG23 ' CG1' ' A' ' 51' ' ' VAL . 22.0 mt -97.67 136.37 28.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -134.36 128.61 34.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.467 ' CD2' HG22 ' A' ' 51' ' ' VAL . 35.6 m-85 -98.99 107.38 19.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -88.81 123.77 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.4 tt0 -83.9 119.93 25.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 HG22 ' A' ' 48' ' ' THR . 9.9 mt -97.93 167.35 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -65.45 175.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.817 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.479 HG21 ' HD2' ' A' ' 45' ' ' ARG . 41.0 m -100.76 137.22 39.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.136 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.7 t -132.58 133.28 43.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 142.05 -173.26 23.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.555 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.1 Cg_endo -69.79 170.01 17.6 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -47.12 0.99 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.374 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 9.3 p-80 -58.66 -53.67 55.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.484 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -109.13 115.14 29.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HD2' HG21 ' A' ' 38' ' ' THR . 11.4 mmt180 -99.68 123.99 44.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.0 mmt-85 -107.2 112.98 26.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -87.62 129.04 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.926 HG22 HD12 ' A' ' 36' ' ' LEU . 10.2 m -96.99 137.92 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 35' ' ' GLU . 12.7 m-85 -138.72 163.58 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -154.04 149.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.467 HG22 ' CD2' ' A' ' 33' ' ' TYR . 78.6 t -107.59 154.36 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.26 111.15 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.528 HD12 ' CZ ' ' A' ' 58' ' ' PHE . 17.2 mt -114.07 134.49 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 50.85 45.19 27.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.26 26.48 16.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -103.84 147.31 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.8 112.32 25.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 42.2 m-85 -90.6 157.88 43.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.637 0.732 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.42 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.7 Cg_endo -69.72 109.29 2.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.423 ' HB2' HG22 ' A' ' 48' ' ' THR . 2.4 pm0 -49.49 169.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -147.73 157.91 43.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -95.69 146.38 24.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.87 141.35 9.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -45.97 -59.53 2.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 m -110.05 177.99 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -56.52 -55.43 33.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.456 ' O ' ' N ' ' A' ' 70' ' ' ARG . 2.7 mp0 -59.19 -63.78 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -38.71 -35.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.91 90.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 67' ' ' GLN . 35.6 mtt180 -59.22 -46.06 89.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.52 -58.0 10.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -44.86 -61.78 1.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.33 -39.84 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.35 -34.61 78.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 72' ' ' ALA . 43.9 tttp -50.98 -49.54 60.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 59' ' ' PRO . 15.8 mt -66.88 -38.61 86.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -63.68 -63.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG11 ' HE3' ' A' ' 19' ' ' LYS . 61.2 t -48.52 -39.01 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -59.89 -42.95 94.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mt -67.96 -46.31 82.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.8 mt -55.17 -43.68 74.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.18 -49.49 27.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -56.86 -36.59 70.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -89.48 -26.12 21.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 86' ' ' LYS . 4.8 t30 -44.97 -51.28 9.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 85' ' ' ASN . 22.8 tptm -37.52 127.66 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.8 t -41.75 105.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.153 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.8 176.33 9.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.6 p -59.78 128.54 37.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -69.13 -44.73 71.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.6 t -37.72 149.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.4 t -134.78 174.5 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -175.0 175.71 47.1 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -45.61 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.3 m -69.47 130.06 41.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 p -76.68 146.98 37.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -108.48 129.72 55.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -106.76 154.33 21.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.45 99.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.1 m -158.42 172.39 18.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.857 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 m -118.13 -45.32 2.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.6 167.07 12.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -160.23 176.46 11.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.32 41.96 3.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -128.37 141.63 51.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.5 t0 60.59 32.71 20.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -40.06 137.31 1.22 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.541 0.686 . . . . 0.0 111.174 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HD2' HG22 ' A' ' 12' ' ' THR . 54.1 Cg_endo -69.71 -23.56 30.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.674 2.25 . . . . 0.0 112.404 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 178.08 70.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.4 ' HB2' HG21 ' A' ' 12' ' ' THR . 18.0 t80 -74.67 -56.18 5.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.54 ' CE2' ' HB2' ' A' ' 75' ' ' LYS . 29.6 m-85 -55.74 -45.5 78.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.488 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 29.2 mmm -49.18 -47.39 46.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -62.83 -30.01 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -75.64 -36.48 60.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 HD13 ' A' ' 31' ' ' ILE . 11.5 mt -62.29 -59.0 5.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -54.23 -28.88 44.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -74.69 -24.5 58.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' CE2' ' NE2' ' A' ' 27' ' ' HIS . 33.2 t80 -94.8 -20.59 19.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.76 ' HA ' HG22 ' A' ' 29' ' ' VAL . 22.7 ptt85 -79.54 -33.99 41.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -82.28 -32.89 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 16.6 mtm -72.47 -58.42 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 23' ' ' TYR . 19.0 m-70 -69.73 -49.19 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.13 45.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' ' 24' ' ' ARG . 33.1 m -112.58 157.88 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.797 0.332 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.17 111.54 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.603 HG23 ' CG1' ' A' ' 51' ' ' VAL . 8.2 mt -95.64 130.65 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.5 m -133.34 130.67 39.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.111 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.707 ' CD2' HG22 ' A' ' 51' ' ' VAL . 50.2 m-85 -101.57 106.94 18.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -86.94 123.53 32.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -81.92 109.02 15.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.523 HD12 HG22 ' A' ' 48' ' ' THR . 12.6 mt -86.48 -179.89 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 m -75.18 -176.85 3.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.926 HG23 ' O ' ' A' ' 46' ' ' ARG . 44.0 m -113.95 141.8 46.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.7 m -132.63 123.35 26.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.832 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.85 32.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 169.97 17.65 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -42.43 3.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.317 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 44' ' ' ASP . 14.5 p-80 -68.15 -47.41 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 2.3 m-20 -109.05 115.21 29.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HB3' HG21 ' A' ' 38' ' ' THR . 28.0 mmt180 -105.69 119.93 40.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.926 ' O ' HG23 ' A' ' 38' ' ' THR . 50.1 mmt-85 -92.49 115.06 27.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -86.28 120.61 27.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.523 HG22 HD12 ' A' ' 36' ' ' LEU . 25.2 m -95.41 144.55 25.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 69' ' ' ALA . 25.9 m-85 -143.22 166.95 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 6.0 pt20 -157.56 151.68 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.707 HG22 ' CD2' ' A' ' 33' ' ' TYR . 89.4 t -110.11 154.57 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.08 110.97 11.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.499 HD12 ' CE1' ' A' ' 58' ' ' PHE . 11.7 mt -113.58 124.96 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.4 t0 56.99 46.88 18.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 59.31 29.43 18.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 58' ' ' PHE . 12.4 ttmm -107.09 130.83 54.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -89.55 106.36 18.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 30.0 m-85 -85.79 158.72 56.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.663 0.744 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.72 105.67 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' HB3' HD11 ' A' ' 36' ' ' LEU . 4.3 pm0 -47.69 175.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.92 160.48 43.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -95.86 152.39 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.938 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.31 152.66 24.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.15 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.9 m -119.0 160.06 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -40.22 -56.75 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.2 -53.7 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -46.98 -38.87 11.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 49' ' ' PHE . . . -62.04 -48.66 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -52.65 -48.39 66.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -57.8 -37.16 73.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.52 -55.28 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -52.18 -31.49 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.49 -37.77 71.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.051 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.54 ' HB2' ' CE2' ' A' ' 16' ' ' TYR . 43.3 tttm -49.25 -42.62 41.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 59' ' ' PRO . 16.9 mt -70.01 -37.3 75.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.559 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.16 -61.98 1.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -48.04 -45.9 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -52.34 -31.61 34.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.99 -55.08 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' ASP . 48.5 mt -42.24 -49.81 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' LEU . 0.8 OUTLIER -37.18 -46.22 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -89.63 -31.76 17.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.49 26.28 0.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -84.14 -47.09 11.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -40.21 156.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 88' ' ' ASP . 1.5 p -130.96 140.73 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.095 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 87' ' ' VAL . 5.8 p-10 -68.66 155.41 40.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 31.1 p -80.68 168.1 19.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -88.92 159.3 17.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.6 m -90.26 -59.67 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 42.4 m -84.49 133.96 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.93 172.27 46.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -176.02 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.368 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 71.4 m -70.76 175.8 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.7 p -61.31 123.58 18.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.811 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -121.23 102.43 8.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.362 . . . . 0.0 110.84 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -170.55 117.22 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.47 -148.76 16.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t 55.7 46.05 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -69.88 153.51 43.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.26 -85.96 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.447 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt 41.87 46.72 3.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.756 0.312 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.88 78.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.3 p -166.9 167.64 14.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -67.79 -40.59 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 13' ' ' PRO . 25.2 m -160.21 137.1 6.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.76 -45.8 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 2.248 . . . . 0.0 112.34 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -141.29 86.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -93.94 -49.47 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.76 -50.69 65.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -45.7 -40.88 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -68.8 -39.69 79.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' NZ ' HG11 ' A' ' 78' ' ' VAL . 24.2 mtmt -61.89 -32.18 72.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 HD13 ' A' ' 31' ' ' ILE . 8.5 mt -68.19 -58.35 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -52.48 -30.33 29.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -74.09 -23.47 59.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.701 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t80 -94.84 -28.58 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.733 ' HA ' HG22 ' A' ' 29' ' ' VAL . 13.1 ptt180 -67.71 -30.3 69.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -88.24 -30.51 19.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 12.3 mtm -71.86 -45.37 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.701 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 22.0 m-70 -86.94 -36.95 18.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.51 44.1 2.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.733 HG22 ' HA ' ' A' ' 24' ' ' ARG . 34.2 m -110.18 164.0 6.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.33 110.71 23.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.085 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.528 HD13 HD22 ' A' ' 20' ' ' LEU . 10.7 mt -95.41 130.63 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.4 m -130.35 134.76 47.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.595 ' CD2' HG22 ' A' ' 51' ' ' VAL . 63.0 m-85 -104.44 104.29 14.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -85.32 119.66 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -77.82 116.43 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.933 HD12 HG22 ' A' ' 48' ' ' THR . 11.2 mt -95.15 171.33 8.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 p -65.37 173.83 2.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.7 m -111.2 135.5 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.8 m -132.68 158.33 42.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.53 -170.88 17.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.1 Cg_endo -69.74 169.26 19.29 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.732 2.288 . . . . 0.0 112.365 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 49.7 p-80 -58.46 -51.88 67.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 1.2 m-20 -108.63 115.17 29.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -100.75 118.6 37.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -97.4 113.75 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -89.69 131.03 35.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.933 HG22 HD12 ' A' ' 36' ' ' LEU . 15.2 m -99.01 137.47 37.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.089 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -135.63 166.24 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -157.23 139.77 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.595 HG22 ' CD2' ' A' ' 33' ' ' TYR . 93.4 t -102.12 154.59 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.18 114.01 14.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.524 HD12 ' CE1' ' A' ' 58' ' ' PHE . 12.4 mt -115.21 133.95 59.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.2 t70 52.35 39.48 27.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 64.61 34.3 10.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HD3' ' CE1' ' A' ' 58' ' ' PHE . 23.6 tttm -111.56 142.97 43.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -97.97 107.76 20.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 77' ' ' ALA . 34.3 m-85 -87.29 158.4 52.22 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.6 Cg_endo -69.77 106.0 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -47.4 172.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.02 41.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -94.83 146.17 24.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -144.85 137.79 7.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -42.69 -56.76 3.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -110.88 178.31 4.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -58.27 -56.49 21.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -61.31 -55.11 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -42.86 -35.35 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.24 -41.6 96.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -58.48 -43.56 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -60.81 -49.08 78.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -55.46 -63.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.093 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.72 -37.01 1.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.86 -35.53 74.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 72' ' ' ALA . 45.2 tttp -50.91 -50.5 57.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 59' ' ' PRO . 18.6 mt -64.94 -36.51 84.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.561 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.39 -61.55 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.618 ' HA ' HD12 ' A' ' 81' ' ' LEU . 68.0 t -50.78 -47.08 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -47.11 -45.97 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.7 mt -69.5 -59.28 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 78' ' ' VAL . 27.8 mt -37.75 -54.97 1.2 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -38.66 -42.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -89.02 -32.13 17.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 47.21 25.46 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -77.33 48.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -52.24 134.8 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.82 142.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' A' ' 88' ' ' ASP . 39.7 t0 -72.39 100.79 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.45 174.17 11.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -62.16 84.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.2 m -95.07 128.09 41.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.4 t -44.89 162.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -42.7 146.17 0.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 153.6 68.76 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.365 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 87.8 p -101.25 135.42 42.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.6 m -107.81 101.16 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -46.48 173.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.3 p -156.43 147.5 22.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.24 -136.99 2.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t 58.34 43.7 19.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -103.45 161.49 13.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.82 54.8 0.15 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.0 mtt -70.83 175.16 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.27 88.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m -114.02 166.03 12.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.23 34.52 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.836 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.462 ' CG2' ' HD2' ' A' ' 13' ' ' PRO . 11.5 m -64.4 136.66 96.85 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.555 0.693 . . . . 0.0 111.16 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 12' ' ' THR . 53.9 Cg_endo -69.75 -45.61 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.664 2.243 . . . . 0.0 112.386 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.72 82.62 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.472 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -83.36 -64.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -64.77 -49.51 70.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.2 mtp -46.09 -40.77 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -69.61 -33.86 73.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -69.52 -37.95 77.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.93 -53.11 61.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.11 -56.64 16.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -47.86 -20.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.562 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 56.5 t80 -94.88 -37.24 11.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.657 ' HA ' HG22 ' A' ' 29' ' ' VAL . 15.7 ptt180 -66.65 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -85.68 -20.87 28.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 41.9 ttm -82.6 -53.38 5.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 13.9 m-70 -77.53 -36.62 52.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.844 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.36 45.34 2.37 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.528 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.7 m -108.56 179.3 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.06 110.94 17.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 5.1 mt -96.52 129.49 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.2 m -130.54 128.9 42.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.536 ' CD2' HG22 ' A' ' 51' ' ' VAL . 14.6 m-85 -101.21 104.04 15.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -81.05 133.7 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.92 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -89.78 107.03 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD12 HG22 ' A' ' 48' ' ' THR . 18.7 mt -83.22 179.24 7.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.7 t -83.5 172.99 11.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 m -91.01 147.72 22.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.3 p -142.63 148.24 37.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 127.42 -169.77 19.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.51 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 54.0 Cg_endo -69.76 169.36 19.1 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.377 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.53 3.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.385 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 22.1 p-80 -66.82 -50.04 63.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -107.96 115.18 29.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -103.24 124.89 49.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -104.96 126.09 51.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -93.28 129.87 39.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.66 HG22 HD12 ' A' ' 36' ' ' LEU . 16.9 m -102.45 147.3 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -146.83 157.0 43.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -145.29 155.09 43.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.536 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.7 t -116.31 152.8 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 114.12 14.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.735 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.5 mt -117.68 122.24 69.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.7 t0 61.55 46.69 7.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 59.8 27.05 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.3 tttt -105.05 140.7 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -99.06 109.6 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.735 ' CE1' HD12 ' A' ' 53' ' ' ILE . 40.5 m-85 -88.14 158.07 50.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.648 0.737 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.77 105.63 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.26 174.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -153.91 156.12 36.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -94.62 153.79 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.38 141.76 8.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.47 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.3 ttt180 -51.14 -58.92 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.4 m -106.23 154.23 21.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -42.73 -47.03 5.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.32 -44.49 75.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -55.47 -34.63 64.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.02 -47.6 76.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -56.02 -47.79 77.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -57.35 -41.06 79.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.16 -51.79 59.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.73 -35.81 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.0 -35.41 76.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -52.7 -48.41 66.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.8 mt -64.33 -37.5 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -64.6 -58.6 5.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.7 t -53.25 -42.71 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.8 -36.08 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.0 mt -76.76 -56.01 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' ASP . 44.4 mt -39.86 -55.07 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' LEU . 9.1 t70 -37.35 -43.45 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -88.77 -33.15 17.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 47.08 25.23 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 86' ' ' LYS . 7.7 t30 -90.61 -60.04 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 85' ' ' ASN . 18.6 tttm -34.46 114.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.43 148.76 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -146.58 125.2 12.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.69 120.91 32.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -136.44 107.42 6.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.1 m -114.13 83.74 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.7 t -158.26 120.2 3.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.62 82.16 0.35 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 179.75 3.51 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.5 m -41.53 149.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 90.9 p -103.6 -44.3 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.442 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -88.01 43.36 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -59.03 -54.07 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.86 121.94 0.72 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 p -123.92 -61.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -50.84 169.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.46 46.79 2.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.2 ttp -48.69 118.71 2.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.34 106.22 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.6 t 53.83 29.76 10.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 55.43 37.92 29.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.632 HG23 ' HD2' ' A' ' 13' ' ' PRO . 92.8 m -145.84 138.46 13.84 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.555 0.693 . . . . 0.0 111.171 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.632 ' HD2' HG23 ' A' ' 12' ' ' THR . 53.6 Cg_endo -69.75 -48.28 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.06 71.08 0.45 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -66.58 -49.89 64.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.88 -42.73 99.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 81.8 mtp -58.15 -28.72 64.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.39 -31.91 48.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.716 ' HE3' HG11 ' A' ' 78' ' ' VAL . 31.4 mtmt -68.79 -32.89 72.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.4 mt -67.52 -62.46 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -52.05 -27.78 14.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -77.94 -23.97 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.689 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 22.2 t80 -94.83 -23.04 17.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.598 ' HA ' HG22 ' A' ' 29' ' ' VAL . 14.0 ptt180 -72.0 -31.2 66.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -80.63 -46.09 16.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.452 ' CG ' ' N ' ' A' ' 27' ' ' HIS . 1.3 ptp -56.9 -44.7 82.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.689 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 24.3 m-70 -84.22 -45.73 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.32 35.0 3.48 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ARG . 29.1 m -97.5 -177.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 111.161 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -122.4 110.81 16.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.057 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 4.4 mt -97.22 128.37 48.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.4 m -128.79 132.46 47.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -105.21 103.79 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -82.89 153.23 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -107.09 107.08 17.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' N ' HD23 ' A' ' 36' ' ' LEU . 1.9 mt -88.45 165.95 14.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.5 p -58.9 -176.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 46' ' ' ARG . 6.9 m -119.26 128.38 54.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.8 m -119.11 160.72 21.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 123.57 -174.38 16.64 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.554 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.9 Cg_endo -69.73 169.29 19.22 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -48.71 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.714 2.276 . . . . 0.0 112.344 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 47.4 p-80 -58.81 -52.19 66.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -109.11 115.25 29.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -101.06 127.96 47.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.628 ' O ' HG23 ' A' ' 38' ' ' THR . 21.7 mmt85 -108.27 121.93 45.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -88.35 135.22 33.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.459 HG22 HD12 ' A' ' 36' ' ' LEU . 21.0 m -105.79 131.15 53.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.166 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -132.56 163.85 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -152.2 162.37 41.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 31' ' ' ILE . 97.8 t -120.47 152.65 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.15 117.07 18.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.519 HD12 ' CE1' ' A' ' 58' ' ' PHE . 14.7 mt -119.73 128.42 75.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 t70 56.06 41.99 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 64.89 27.74 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -104.69 144.08 32.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -101.91 112.44 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.519 ' CE1' HD12 ' A' ' 53' ' ' ILE . 37.3 m-85 -90.78 157.84 43.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.645 0.736 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.68 ' O ' HD12 ' A' ' 76' ' ' LEU . 54.1 Cg_endo -69.76 104.79 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.374 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 36' ' ' LEU . 2.1 pm0 -48.65 173.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 76' ' ' LEU . . . -155.25 158.65 39.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -96.93 152.86 18.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.86 137.7 6.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -39.86 -55.87 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 p -117.75 163.22 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.8 -47.57 15.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.917 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -67.73 -43.82 79.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -57.24 -33.9 68.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.87 -52.93 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mtt85 -50.66 -46.41 58.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -58.78 -48.97 79.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 75' ' ' LYS . . . -56.85 -59.18 5.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.43 -44.1 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -63.23 -36.63 84.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 72' ' ' ALA . 73.7 tttt -49.96 -46.6 52.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD12 ' O ' ' A' ' 59' ' ' PRO . 14.2 mt -67.5 -39.56 85.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . . . -65.0 -63.64 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.716 HG11 ' HE3' ' A' ' 19' ' ' LYS . 16.2 t -46.08 -43.99 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -56.87 -35.47 68.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.0 mt -74.28 -52.77 19.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 83' ' ' ASN . 32.2 mt -45.32 -55.56 5.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -40.4 -28.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 81' ' ' LEU . 3.8 m-20 -102.73 -31.25 10.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 50.13 26.61 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 83' ' ' ASN . 6.5 m120 -122.5 93.39 3.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' VAL . 0.0 OUTLIER -69.82 146.88 51.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' LYS . 35.1 m -36.1 133.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.68 164.19 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 24.0 p -90.12 161.6 15.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -120.29 172.95 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 36.9 p -124.04 158.47 32.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.2 t -91.2 -47.81 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 79.68 -160.09 44.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 175.05 8.57 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 91.6 p -38.31 -58.24 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -132.28 167.08 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.531 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 125.43 45.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -123.9 103.4 8.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.34 -142.19 10.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m 59.05 44.19 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -156.73 155.26 31.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 46.8 2.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -132.69 132.69 42.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.97 150.35 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -147.49 173.71 12.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -114.9 80.3 1.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.6 OUTLIER -63.34 137.19 97.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.152 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HD2' HG22 ' A' ' 12' ' ' THR . 53.8 Cg_endo -69.79 -26.05 27.82 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.62 82.52 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' H ' ' ND2' ' A' ' 71' ' ' ASN . 33.5 t80 -90.61 -69.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 75' ' ' LYS . 24.6 m-85 -54.08 -47.07 72.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.524 ' SD ' ' CE2' ' A' ' 33' ' ' TYR . 38.2 mmm -44.56 -45.85 9.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.36 -30.33 70.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -76.19 -35.07 59.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 ' CD1' ' HB1' ' A' ' 74' ' ' ALA . 13.4 mt -64.29 -56.93 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.38 -53.73 50.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -49.94 -21.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.605 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 7.5 t80 -94.8 -38.83 10.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.718 ' HA ' HG22 ' A' ' 29' ' ' VAL . 16.9 ptt180 -63.87 -42.94 97.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 24' ' ' ARG . 2.1 pt20 -70.55 -30.24 66.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.568 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 43.4 ttp -75.9 -64.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.605 ' CD2' ' CE2' ' A' ' 23' ' ' TYR . 41.6 m-70 -62.87 -38.53 91.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.94 42.85 2.75 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.718 HG22 ' HA ' ' A' ' 24' ' ' ARG . 27.0 m -108.39 163.72 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.2 113.63 27.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.433 ' CD1' ' HB3' ' A' ' 24' ' ' ARG . 8.7 mt -100.71 127.45 53.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -128.42 130.01 46.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.602 ' CD2' HG22 ' A' ' 51' ' ' VAL . 67.8 m-85 -99.33 103.93 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -83.4 117.09 22.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.91 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.32 124.93 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD12 HG22 ' A' ' 48' ' ' THR . 27.7 mt -100.76 168.62 9.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -70.38 175.19 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.468 HG21 ' HB3' ' A' ' 45' ' ' ARG . 0.4 OUTLIER -94.05 150.87 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.0 t -145.26 135.82 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.46 -171.23 23.56 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.496 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.76 169.61 18.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.357 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -32.71 17.94 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 53.3 p-80 -75.75 -53.65 8.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' N ' ' CG ' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -108.88 115.18 29.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HB3' HG21 ' A' ' 38' ' ' THR . 21.0 mmt180 -104.4 132.39 50.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -108.98 117.85 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -86.77 121.95 29.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.601 HG22 HD12 ' A' ' 36' ' ' LEU . 8.5 m -93.56 148.48 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.134 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -147.16 165.6 29.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' HA ' ' HB1' ' A' ' 73' ' ' ALA . 8.8 pt20 -154.8 151.39 28.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.602 HG22 ' CD2' ' A' ' 33' ' ' TYR . 61.4 t -110.09 152.47 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.4 mp -131.22 110.65 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 58' ' ' PHE . 6.9 mt -116.41 131.17 69.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' C ' ' CD ' ' A' ' 55' ' ' GLU . 3.7 t70 54.14 47.79 22.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 3.4 mp0 56.65 34.51 24.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 36.4 tttm -112.5 139.57 47.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.77 108.37 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 53' ' ' ILE . 38.9 m-85 -87.55 158.17 51.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.663 0.744 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 107.59 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.678 2.252 . . . . 0.0 112.37 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -49.53 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -159.21 159.69 34.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -97.55 145.18 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.07 140.94 9.47 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.493 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -49.99 -53.73 24.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.9 t -109.22 163.05 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -50.19 -61.15 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -59.11 -44.38 91.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -52.03 -37.08 52.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.75 92.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -59.13 -43.06 91.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' ND2' ' H ' ' A' ' 15' ' ' PHE . 54.5 t-20 -63.68 -37.55 87.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.84 -57.03 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' HB1' ' HA ' ' A' ' 50' ' ' GLN . . . -50.46 -33.59 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 20' ' ' LEU . . . -69.54 -37.28 77.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.151 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.504 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 55.2 tttm -49.56 -51.09 39.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.3 mt -62.76 -36.21 82.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -66.67 -61.53 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.491 ' HA ' HD12 ' A' ' 81' ' ' LEU . 73.5 t -48.28 -39.13 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.45 -36.04 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.7 -51.0 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 78' ' ' VAL . 38.4 mt -43.91 -57.49 3.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' LEU . 5.7 t70 -35.93 -34.23 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 81' ' ' LEU . 6.6 t-20 -99.76 -28.99 12.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' LEU . 14.7 mt-10 53.92 38.14 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -91.56 79.6 5.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -40.73 112.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.4 m -83.39 151.85 3.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.082 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -47.56 120.81 3.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 18.8 p -100.07 155.06 17.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 71.86 47.49 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.2 p -54.33 -15.94 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 96.0 p -172.08 159.96 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -93.53 130.78 10.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 161.66 45.06 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.7 p -73.44 159.44 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 10.6 t -93.54 140.26 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -122.78 159.13 28.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -78.69 158.8 28.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.54 47.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -56.23 126.72 27.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -102.77 103.7 13.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.82 55.24 0.32 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 pmm? -131.4 147.43 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.743 0.306 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.57 -178.85 3.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.5 t -99.32 -26.85 14.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.833 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -120.9 -60.44 1.65 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.524 HG22 ' HD2' ' A' ' 13' ' ' PRO . 0.3 OUTLIER -148.21 137.35 11.98 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.589 0.709 . . . . 0.0 111.16 -179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.524 ' HD2' HG22 ' A' ' 12' ' ' THR . 53.7 Cg_endo -69.76 -0.16 6.52 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 164.58 72.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -71.73 -68.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 75' ' ' LYS . 19.1 m-85 -54.74 -47.78 73.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.5 mtp -46.06 -42.17 13.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.99 -32.85 74.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -71.63 -31.61 67.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.7 mt -63.3 -57.31 10.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -49.48 -48.89 47.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -55.35 -21.09 13.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -94.97 -29.65 14.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.8 ' HA ' HG22 ' A' ' 29' ' ' VAL . 23.2 ptt85 -75.53 -30.59 59.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -88.97 -18.13 28.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 51.0 ttm -87.38 -51.35 5.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 22.8 m-70 -80.82 -29.94 35.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.7 47.05 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.498 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 24' ' ' ARG . 23.6 m -112.57 166.81 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.74 110.78 21.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.091 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.458 HG23 ' CG1' ' A' ' 51' ' ' VAL . 11.0 mt -98.36 133.66 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.7 m -131.63 137.51 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.533 ' CD2' HG22 ' A' ' 51' ' ' VAL . 58.6 m-85 -105.92 103.82 13.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.948 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -85.53 127.46 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -83.02 129.39 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.684 HD12 HG22 ' A' ' 48' ' ' THR . 29.8 mt -106.35 169.17 8.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -62.1 -176.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.6 m -118.23 132.09 56.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 p -125.15 163.16 23.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 117.74 -172.72 14.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.498 ' HB2' ' CE1' ' A' ' 43' ' ' HIS . 53.7 Cg_endo -69.74 169.98 17.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -43.98 2.37 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.498 ' CE1' ' HB2' ' A' ' 41' ' ' PRO . 29.2 p-80 -64.87 -49.24 71.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.439 ' OD1' ' NH1' ' A' ' 46' ' ' ARG . 11.0 t70 -109.04 115.21 29.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -102.33 123.75 46.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 47.4 mmt-85 -102.93 114.74 29.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' CD2' ' HD3' ' A' ' 66' ' ' LYS . 16.7 m-85 -88.96 125.99 35.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.684 HG22 HD12 ' A' ' 36' ' ' LEU . 13.8 m -96.67 146.28 25.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CZ ' ' HG3' ' A' ' 66' ' ' LYS . 16.2 m-85 -143.94 168.28 20.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -156.65 148.93 23.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.533 HG22 ' CD2' ' A' ' 33' ' ' TYR . 87.9 t -108.23 154.49 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' N ' HG12 ' A' ' 51' ' ' VAL . 5.3 mp -131.4 110.73 11.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' CE1' ' A' ' 58' ' ' PHE . 10.9 mt -113.48 130.83 66.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.8 t70 54.99 39.24 31.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 64.16 32.58 12.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -110.98 135.02 52.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -90.01 108.41 19.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 77' ' ' ALA . 30.6 m-85 -87.83 158.95 49.93 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.649 0.738 . . . . 0.0 110.88 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.501 ' O ' HD12 ' A' ' 76' ' ' LEU . 53.8 Cg_endo -69.79 106.03 1.59 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -48.36 175.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 48' ' ' THR . . . -154.25 160.7 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -99.03 156.73 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -163.83 137.7 4.9 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.496 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 63' ' ' GLY . 34.3 ttt180 -36.79 -60.52 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.2 m -119.86 158.14 27.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -39.21 -51.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.868 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -59.51 -48.84 80.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.51 -32.98 70.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.51 -43.87 62.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -54.21 -44.54 71.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -48.54 79.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.1 74.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.69 -38.69 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 78' ' ' VAL . . . -69.93 -29.67 66.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 16' ' ' TYR . 56.5 tttm -56.47 -48.78 76.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 59' ' ' PRO . 20.5 mt -64.38 -36.35 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . . . -68.77 -62.7 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 74' ' ' ALA . 45.4 t -47.89 -41.27 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -55.61 -45.25 77.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' LEU . 71.8 mt -65.15 -57.47 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 82' ' ' ASP . 52.9 mt -37.99 -55.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' LEU . 18.1 t70 -36.05 -45.27 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -89.17 -28.93 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 81' ' ' LEU . 6.1 mt-10 54.09 35.94 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 48.71 51.03 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -76.58 -175.69 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.4 m -88.8 6.31 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -89.19 -39.45 13.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 21.2 t -102.61 122.2 43.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 91' ' ' THR . 32.6 t60 -109.96 112.67 24.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.825 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 90' ' ' HIS . 36.3 p -159.94 147.41 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.8 p -54.51 132.1 44.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.818 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -135.8 -175.07 13.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 107.18 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.37 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -123.43 164.41 18.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 63.8 m -99.48 154.3 18.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.988 . . . . . . . . 0 0 . 1 stop_ save_